CID 9570774

2-(o-((2-oxo-3-piperidinylidene)hydrazinyl)phenyl)acetic acid

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]+ 262.11861 157.5
[M+Na]+ 284.10055 161.5
[M-H]- 260.10405 160.8
[M+NH4]+ 279.14515 170.9
[M+K]+ 300.07449 157.9
[M+H-H2O]+ 244.10859 149.0
[M+HCOO]- 306.10953 177.3
[M+CH3COO]- 320.12518 196.8
[M+Na-2H]- 282.08600 161.1
[M]+ 261.11078 151.5
[M]- 261.11188 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.