CID 9588889

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

Structural Information

Molecular Formula
C10H16N4O4
SMILES
CC(=O)/C(=N\O)/N1CCN(CC1)/C(=N/O)/C(=O)C
InChI
InChI=1S/C10H16N4O4/c1-7(15)9(11-17)13-3-5-14(6-4-13)10(12-18)8(2)16/h17-18H,3-6H2,1-2H3/b11-9+,12-10+
InChIKey
VNYLTJQSEQCZHD-WGDLNXRISA-N
Compound name
(1E)-1-[4-[(E)-C-acetyl-N-hydroxycarbonimidoyl]piperazin-1-yl]-1-hydroxyiminopropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.11716 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.124436 157.2
[M+Na]+ 279.106378 160.5
[M-H]- 255.109884 157.4
[M+NH4]+ 274.150983 170.2
[M+K]+ 295.080318 160.6
[M+H-H2O]+ 239.114420 149.2
[M+HCOO]- 301.115361 174.3
[M+CH3COO]- 315.131011 198.1
[M+Na-2H]- 277.091826 157.6
[M]+ 256.11661142 153.3
[M]- 256.11770858 153.3
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.