CID 5355134

Cinnamamide, n-(2-hydroxyethyl)-4-methoxy-

Structural Information

Molecular Formula
C12H15NO3
SMILES
COC1=CC=C(C=C1)/C=C/C(=O)NCCO
InChI
InChI=1S/C12H15NO3/c1-16-11-5-2-10(3-6-11)4-7-12(15)13-8-9-14/h2-7,14H,8-9H2,1H3,(H,13,15)/b7-4+
InChIKey
RMWDGIYZUHYPPL-QPJJXVBHSA-N
Compound name
(E)-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

221.1052 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.112476 149.6
[M+Na]+ 244.094418 155.6
[M-H]- 220.097924 151.6
[M+NH4]+ 239.139023 167.0
[M+K]+ 260.068358 152.9
[M+H-H2O]+ 204.102460 143.1
[M+HCOO]- 266.103401 172.8
[M+CH3COO]- 280.119051 187.7
[M+Na-2H]- 242.079866 154.0
[M]+ 221.10465142 150.4
[M]- 221.10574858 150.4
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