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]+ 233.09208 151.9
[M+Na]+ 255.07402 156.7
[M-H]- 231.07752 155.1
[M+NH4]+ 250.11862 168.6
[M+K]+ 271.04796 154.7
[M+H-H2O]+ 215.08206 144.8
[M+HCOO]- 277.08300 176.0
[M+CH3COO]- 291.09865 193.6
[M+Na-2H]- 253.05947 155.4
[M]+ 232.08425 150.7
[M]- 232.08535 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.