CID 41579

3'-hydroxy-3-methylcrotonanilide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.09464 Da
Monoisotopic Mass

2.2
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

No literature data available for this compound.

Patent stripe

patents stripe