CID 24707572

N-benzyl-2-cyano-n-methylacetamide

Structural Information

Molecular Formula
C11H12N2O
SMILES
CN(CC1=CC=CC=C1)C(=O)CC#N
InChI
InChI=1S/C11H12N2O/c1-13(11(14)7-8-12)9-10-5-3-2-4-6-10/h2-6H,7,9H2,1H3
InChIKey
ZFCMAYPKJGUUNJ-UHFFFAOYSA-N
Compound name
N-benzyl-2-cyano-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

188.09496 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.102236 144.6
[M+Na]+ 211.084178 152.6
[M-H]- 187.087684 148.6
[M+NH4]+ 206.128783 162.3
[M+K]+ 227.058118 150.6
[M+H-H2O]+ 171.092220 131.4
[M+HCOO]- 233.093161 165.5
[M+CH3COO]- 247.108811 199.8
[M+Na-2H]- 209.069626 149.3
[M]+ 188.09441142 140.4
[M]- 188.09550858 140.4
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