CID 9588889

N,n'-bis(1-hydroxyimino-2-oxopropyl)piperazine

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]+ 257.12444 157.2
[M+Na]+ 279.10638 160.5
[M-H]- 255.10988 157.4
[M+NH4]+ 274.15098 170.2
[M+K]+ 295.08032 160.6
[M+H-H2O]+ 239.11442 149.2
[M+HCOO]- 301.11536 174.3
[M+CH3COO]- 315.13101 198.1
[M+Na-2H]- 277.09183 157.6
[M]+ 256.11661 153.3
[M]- 256.11771 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.