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]+ 201.10224 143.1
[M+Na]+ 223.08418 156.8
[M-H]- 199.08768 152.2
[M+NH4]+ 218.12878 157.7
[M+K]+ 239.05812 150.7
[M+H-H2O]+ 183.09222 132.2
[M+HCOO]- 245.09316 166.1
[M+CH3COO]- 259.10881 203.5
[M+Na-2H]- 221.06963 149.7
[M]+ 200.09441 142.2
[M]- 200.09551 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.