CID 58156

Crotonanilide, 4'-hydroxy-3-methyl-

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

191.09464 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 142.4
[M+Na]+ 214.08386 148.8
[M-H]- 190.08736 144.8
[M+NH4]+ 209.12846 161.1
[M+K]+ 230.05780 146.3
[M+H-H2O]+ 174.09190 136.6
[M+HCOO]- 236.09284 164.7
[M+CH3COO]- 250.10849 183.4
[M+Na-2H]- 212.06931 146.1
[M]+ 191.09409 140.8
[M]- 191.09519 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