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

1
Patents

190.11061 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.11789 143.1
[M+Na]+ 213.09983 148.5
[M-H]- 189.10333 147.8
[M+NH4]+ 208.14443 162.5
[M+K]+ 229.07377 147.2
[M+H-H2O]+ 173.10787 136.1
[M+HCOO]- 235.10881 169.2
[M+CH3COO]- 249.12446 190.3
[M+Na-2H]- 211.08528 148.7
[M]+ 190.11006 142.6
[M]- 190.11116 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