CID 112687

Benzoic acid, (2-methylpropylidene)hydrazide

Structural Information

Molecular Formula
C11H14N2O
SMILES
CC(C)C=NNC(=O)C1=CC=CC=C1
InChI
InChI=1S/C11H14N2O/c1-9(2)8-12-13-11(14)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,13,14)
InChIKey
ISSKOELQNRHIIL-UHFFFAOYSA-N
Compound name
N-(2-methylpropylideneamino)benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

190.11061 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.117886 143.1
[M+Na]+ 213.099828 148.5
[M-H]- 189.103334 147.8
[M+NH4]+ 208.144433 162.5
[M+K]+ 229.073768 147.2
[M+H-H2O]+ 173.107870 136.1
[M+HCOO]- 235.108811 169.2
[M+CH3COO]- 249.124461 190.3
[M+Na-2H]- 211.085276 148.7
[M]+ 190.11006142 142.6
[M]- 190.11115858 142.6
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

patents stripe