CID 96694

N-(3-allyl-4-hydroxyphenyl)acetamide

Structural Information

Molecular Formula
C11H13NO2
SMILES
CC(=O)NC1=CC(=C(C=C1)O)CC=C
InChI
InChI=1S/C11H13NO2/c1-3-4-9-7-10(12-8(2)13)5-6-11(9)14/h3,5-7,14H,1,4H2,2H3,(H,12,13)
InChIKey
GXJRGWXLIYRAHV-UHFFFAOYSA-N
Compound name
N-(4-hydroxy-3-prop-2-enylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

191.09464 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 141.3
[M+Na]+ 214.083858 148.8
[M-H]- 190.087364 144.0
[M+NH4]+ 209.128463 160.3
[M+K]+ 230.057798 145.8
[M+H-H2O]+ 174.091900 135.6
[M+HCOO]- 236.092841 164.6
[M+CH3COO]- 250.108491 184.4
[M+Na-2H]- 212.069306 145.6
[M]+ 191.09409142 140.8
[M]- 191.09518858 140.8
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