CID 135770332

Piperazine, 1,4-bis(1,2-bis(hydroxyimino)propyl)-

Structural Information

Molecular Formula
C10H18N6O4
SMILES
C/C(=N\O)/C(=N\O)/N1CCN(CC1)/C(=N/O)/C(=N/O)/C
InChI
InChI=1S/C10H18N6O4/c1-7(11-17)9(13-19)15-3-5-16(6-4-15)10(14-20)8(2)12-18/h17-20H,3-6H2,1-2H3/b11-7+,12-8+,13-9+,14-10+
InChIKey
YHHODORRZBRECW-DQVHGGFXSA-N
Compound name
(NE)-N-[(1E)-1-[4-[(E)-N-hydroxy-C-[(E)-N-hydroxy-C-methylcarbonimidoyl]carbonimidoyl]piperazin-1-yl]-1-hydroxyiminopropan-2-ylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.13895 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.146226 163.9
[M+Na]+ 309.128168 165.6
[M-H]- 285.131674 164.2
[M+NH4]+ 304.172773 175.1
[M+K]+ 325.102108 166.1
[M+H-H2O]+ 269.136210 155.0
[M+HCOO]- 331.137151 183.1
[M+CH3COO]- 345.152801 207.8
[M+Na-2H]- 307.113616 165.4
[M]+ 286.13840142 158.3
[M]- 286.13949858 158.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.