CID 64795250

914094-82-9

Structural Information

Molecular Formula

C₁₁H₁₃NO₃

SMILES

C=CCOC(=O)NC1=CC=C(C=C1)CO

InChI

InChI=1S/C11H13NO3/c1-2-7-15-11(14)12-10-5-3-9(8-13)4-6-10/h2-6,13H,1,7-8H2,(H,12,14)

InChIKey

UWMJWQBNJULCJG-UHFFFAOYSA-N

Compound name

prop-2-enyl N-[4-(hydroxymethyl)phenyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 207.08954 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	208.09682	146.0
[M+Na]+	230.07876	156.5
[M+NH4]+	225.12336	152.7
[M+K]+	246.05270	151.0
[M-H]-	206.08226	146.9
[M+Na-2H]-	228.06421	151.1
[M]+	207.08899	147.4
[M]-	207.09009	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe