CID 51093404

N-(cyanomethyl)-n-cyclopropylbenzamide

Structural Information

Molecular Formula
C12H12N2O
SMILES
C1CC1N(CC#N)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C12H12N2O/c13-8-9-14(11-6-7-11)12(15)10-4-2-1-3-5-10/h1-5,11H,6-7,9H2
InChIKey
XVNQZEUSOZMWDC-UHFFFAOYSA-N
Compound name
N-(cyanomethyl)-N-cyclopropylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.09496 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.102236 143.1
[M+Na]+ 223.084178 156.8
[M-H]- 199.087684 152.2
[M+NH4]+ 218.128783 157.7
[M+K]+ 239.058118 150.7
[M+H-H2O]+ 183.092220 132.2
[M+HCOO]- 245.093161 166.1
[M+CH3COO]- 259.108811 203.5
[M+Na-2H]- 221.069626 149.7
[M]+ 200.09441142 142.2
[M]- 200.09550858 142.2
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.