CID 3690178

N-(2-methylphenyl)prop-2-enamide

Structural Information

Molecular Formula
C10H11NO
SMILES
CC1=CC=CC=C1NC(=O)C=C
InChI
InChI=1S/C10H11NO/c1-3-10(12)11-9-7-5-4-6-8(9)2/h3-7H,1H2,2H3,(H,11,12)
InChIKey
RULNGIPWAOXQFQ-UHFFFAOYSA-N
Compound name
N-(2-methylphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

551
Patents

161.08406 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09134 133.3
[M+Na]+ 184.07328 140.8
[M-H]- 160.07678 137.2
[M+NH4]+ 179.11788 154.0
[M+K]+ 200.04722 138.4
[M+H-H2O]+ 144.08132 127.6
[M+HCOO]- 206.08226 158.3
[M+CH3COO]- 220.09791 180.7
[M+Na-2H]- 182.05873 139.4
[M]+ 161.08351 132.6
[M]- 161.08461 132.6
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