CID 4437989

5-(allyloxycarbonylamino)-1-pentanol

Structural Information

Molecular Formula

C₉H₁₇NO₃

SMILES

C=CCOC(=O)NCCCCCO

InChI

InChI=1S/C9H17NO3/c1-2-8-13-9(12)10-6-4-3-5-7-11/h2,11H,1,3-8H2,(H,10,12)

InChIKey

DACCNNJQBLQJBR-UHFFFAOYSA-N

Compound name

prop-2-enyl N-(5-hydroxypentyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 187.12085 Da
Monoisotopic Mass: 1.0
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]+	188.128126	143.9
[M+Na]+	210.110068	149.0
[M-H]-	186.113574	142.3
[M+NH4]+	205.154673	162.7
[M+K]+	226.084008	147.7
[M+H-H2O]+	170.118110	138.4
[M+HCOO]-	232.119051	166.4
[M+CH3COO]-	246.134701	182.1
[M+Na-2H]-	208.095516	147.8
[M]+	187.12030142	145.7
[M]-	187.12139858	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe