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]+	188.12813	143.9
[M+Na]+	210.11007	149.0
[M-H]-	186.11357	142.3
[M+NH4]+	205.15467	162.7
[M+K]+	226.08401	147.7
[M+H-H2O]+	170.11811	138.4
[M+HCOO]-	232.11905	166.4
[M+CH3COO]-	246.13470	182.1
[M+Na-2H]-	208.09552	147.8
[M]+	187.12030	145.7
[M]-	187.12140	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe