CID 5152731

3-(allyloxycarbonylamino)-1-propanol

Structural Information

Molecular Formula

C₇H₁₃NO₃

SMILES

C=CCOC(=O)NCCCO

InChI

InChI=1S/C7H13NO3/c1-2-6-11-7(10)8-4-3-5-9/h2,9H,1,3-6H2,(H,8,10)

InChIKey

ZKLMTPLBEYYNKM-UHFFFAOYSA-N

Compound name

prop-2-enyl N-(3-hydroxypropyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 88
Patents: 159.08954 Da
Monoisotopic Mass: 0.3
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]+	160.09682	134.8
[M+Na]+	182.07876	140.7
[M-H]-	158.08226	133.5
[M+NH4]+	177.12336	154.7
[M+K]+	198.05270	139.9
[M+H-H2O]+	142.08680	129.7
[M+HCOO]-	204.08774	157.9
[M+CH3COO]-	218.10339	176.0
[M+Na-2H]-	180.06421	139.8
[M]+	159.08899	135.8
[M]-	159.09009	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe