CID 21657848

N-(3-methoxy-4-methylphenyl)prop-2-enamide

Structural Information

Molecular Formula
C11H13NO2
SMILES
CC1=C(C=C(C=C1)NC(=O)C=C)OC
InChI
InChI=1S/C11H13NO2/c1-4-11(13)12-9-6-5-8(2)10(7-9)14-3/h4-7H,1H2,2-3H3,(H,12,13)
InChIKey
MLBARMMXRQCHNS-UHFFFAOYSA-N
Compound name
N-(3-methoxy-4-methylphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

191.09464 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 140.6
[M+Na]+ 214.08386 148.5
[M-H]- 190.08736 144.7
[M+NH4]+ 209.12846 160.3
[M+K]+ 230.05780 146.4
[M+H-H2O]+ 174.09190 134.6
[M+HCOO]- 236.09284 165.4
[M+CH3COO]- 250.10849 187.0
[M+Na-2H]- 212.06931 145.4
[M]+ 191.09409 142.0
[M]- 191.09519 142.0
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