CID 5354181

Pyruvate phenylhydrazone

Structural Information

Molecular Formula
C9H10N2O2
SMILES
C/C(=N\NC1=CC=CC=C1)/C(=O)O
InChI
InChI=1S/C9H10N2O2/c1-7(9(12)13)10-11-8-5-3-2-4-6-8/h2-6,11H,1H3,(H,12,13)/b10-7+
InChIKey
CSTSUTMIORLRIN-JXMROGBWSA-N
Compound name
(2E)-2-(phenylhydrazinylidene)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

178.07423 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08151 136.9
[M+Na]+ 201.06345 142.6
[M-H]- 177.06695 140.5
[M+NH4]+ 196.10805 155.9
[M+K]+ 217.03739 141.4
[M+H-H2O]+ 161.07149 130.3
[M+HCOO]- 223.07243 162.3
[M+CH3COO]- 237.08808 184.5
[M+Na-2H]- 199.04890 143.1
[M]+ 178.07368 135.3
[M]- 178.07478 135.3
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