CID 12296732

2-cyano-n-methyl-n-phenylacetamide

Structural Information

Molecular Formula
C10H10N2O
SMILES
CN(C1=CC=CC=C1)C(=O)CC#N
InChI
InChI=1S/C10H10N2O/c1-12(10(13)7-8-11)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey
TYNMTKVSZGKSFB-UHFFFAOYSA-N
Compound name
2-cyano-N-methyl-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

174.07932 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.08660 140.5
[M+Na]+ 197.06854 149.0
[M-H]- 173.07204 144.7
[M+NH4]+ 192.11314 158.7
[M+K]+ 213.04248 147.2
[M+H-H2O]+ 157.07658 127.5
[M+HCOO]- 219.07752 161.8
[M+CH3COO]- 233.09317 197.1
[M+Na-2H]- 195.05399 145.7
[M]+ 174.07877 136.0
[M]- 174.07987 136.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe