CID 19983

Hercules 9,485

Structural Information

Molecular Formula

C₁₁H₁₃NO₃

SMILES

CNC(=O)OC1=CC=CC=C1OCC=C

InChI

InChI=1S/C11H13NO3/c1-3-8-14-9-6-4-5-7-10(9)15-11(13)12-2/h3-7H,1,8H2,2H3,(H,12,13)

InChIKey

RRCXOIBMSKRASZ-UHFFFAOYSA-N

Compound name

(2-prop-2-enoxyphenyl) N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 207.08954 Da
Monoisotopic Mass: 1.5
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]+	208.096816	144.4
[M+Na]+	230.078758	151.4
[M-H]-	206.082264	148.1
[M+NH4]+	225.123363	163.1
[M+K]+	246.052698	149.8
[M+H-H2O]+	190.086800	137.9
[M+HCOO]-	252.087741	169.5
[M+CH3COO]-	266.103391	187.2
[M+Na-2H]-	228.064206	149.9
[M]+	207.08899142	146.8
[M]-	207.09008858	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe