CID 9570774

Acetic acid, 2-(o-((2-oxo-3-piperidinylidene)hydrazinyl)phenyl)-

Structural Information

Molecular Formula
C13H15N3O3
SMILES
C1C/C(=N\NC2=CC=CC=C2CC(=O)O)/C(=O)NC1
InChI
InChI=1S/C13H15N3O3/c17-12(18)8-9-4-1-2-5-10(9)15-16-11-6-3-7-14-13(11)19/h1-2,4-5,15H,3,6-8H2,(H,14,19)(H,17,18)/b16-11+
InChIKey
CJAMUSLADOUOMG-LFIBNONCSA-N
Compound name
2-[2-[(2E)-2-(2-oxopiperidin-3-ylidene)hydrazinyl]phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.11133 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.118606 157.5
[M+Na]+ 284.100548 161.5
[M-H]- 260.104054 160.8
[M+NH4]+ 279.145153 170.9
[M+K]+ 300.074488 157.9
[M+H-H2O]+ 244.108590 149.0
[M+HCOO]- 306.109531 177.3
[M+CH3COO]- 320.125181 196.8
[M+Na-2H]- 282.085996 161.1
[M]+ 261.11078142 151.5
[M]- 261.11187858 151.5
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.