CID 54593493

N-(1-cyanocyclobutyl)benzamide

Structural Information

Molecular Formula
C12H12N2O
SMILES
C1CC(C1)(C#N)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C12H12N2O/c13-9-12(7-4-8-12)14-11(15)10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2,(H,14,15)
InChIKey
LLAQLGZLXTVCPA-UHFFFAOYSA-N
Compound name
N-(1-cyanocyclobutyl)benzamide
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 146.0
[M+Na]+ 223.08418 152.9
[M-H]- 199.08768 151.5
[M+NH4]+ 218.12878 158.5
[M+K]+ 239.05812 152.9
[M+H-H2O]+ 183.09222 128.9
[M+HCOO]- 245.09316 164.7
[M+CH3COO]- 259.10881 200.0
[M+Na-2H]- 221.06963 151.5
[M]+ 200.09441 146.7
[M]- 200.09551 146.7
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