CID 3511397

66471-00-9

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

C=CCOC(=O)NCCO

InChI

InChI=1S/C6H11NO3/c1-2-5-10-6(9)7-3-4-8/h2,8H,1,3-5H2,(H,7,9)

InChIKey

GIYCJRYESIQCEW-UHFFFAOYSA-N

Compound name

prop-2-enyl N-(2-hydroxyethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 145.0739 Da
Monoisotopic Mass: -0.1
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]+	146.081176	130.2
[M+Na]+	168.063118	136.6
[M-H]-	144.066624	129.1
[M+NH4]+	163.107723	150.7
[M+K]+	184.037058	136.0
[M+H-H2O]+	128.071160	125.3
[M+HCOO]-	190.072101	153.7
[M+CH3COO]-	204.087751	173.0
[M+Na-2H]-	166.048566	135.7
[M]+	145.07335142	130.9
[M]-	145.07444858	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe