CID 232130

Butanedioic acid, 1-(2-phenylhydrazide)

Structural Information

Molecular Formula
C10H12N2O3
SMILES
C1=CC=C(C=C1)NNC(=O)CCC(=O)O
InChI
InChI=1S/C10H12N2O3/c13-9(6-7-10(14)15)12-11-8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,12,13)(H,14,15)
InChIKey
MKYYUGVTLSBAPZ-UHFFFAOYSA-N
Compound name
4-oxo-4-(2-phenylhydrazinyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

33
Patents

208.0848 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.09208 144.5
[M+Na]+ 231.07402 149.1
[M-H]- 207.07752 146.4
[M+NH4]+ 226.11862 161.4
[M+K]+ 247.04796 147.4
[M+H-H2O]+ 191.08206 137.6
[M+HCOO]- 253.08300 168.3
[M+CH3COO]- 267.09865 187.2
[M+Na-2H]- 229.05947 149.7
[M]+ 208.08425 142.8
[M]- 208.08535 142.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe