CID 9588914

2-butenedioic acid, mono((1-phenylethylidene)hydrazide), (?,z)-

Structural Information

Molecular Formula
C12H12N2O3
SMILES
C/C(=N/NC(=O)/C=C\C(=O)O)/C1=CC=CC=C1
InChI
InChI=1S/C12H12N2O3/c1-9(10-5-3-2-4-6-10)13-14-11(15)7-8-12(16)17/h2-8H,1H3,(H,14,15)(H,16,17)/b8-7-,13-9-
InChIKey
AAOBFDRILPWRPX-VBKTUFRMSA-N
Compound name
(Z)-4-oxo-4-[(2Z)-2-(1-phenylethylidene)hydrazinyl]but-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.0848 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.092076 151.9
[M+Na]+ 255.074018 156.7
[M-H]- 231.077524 155.1
[M+NH4]+ 250.118623 168.6
[M+K]+ 271.047958 154.7
[M+H-H2O]+ 215.082060 144.8
[M+HCOO]- 277.083001 176.0
[M+CH3COO]- 291.098651 193.6
[M+Na-2H]- 253.059466 155.4
[M]+ 232.08425142 150.7
[M]- 232.08534858 150.7
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.