CID 5142638

6-(allyloxycarbonylamino)-1-hexanol

Structural Information

Molecular Formula

C₁₀H₁₉NO₃

SMILES

C=CCOC(=O)NCCCCCCO

InChI

InChI=1S/C10H19NO3/c1-2-9-14-10(13)11-7-5-3-4-6-8-12/h2,12H,1,3-9H2,(H,11,13)

InChIKey

FQFRACFUQCJOMP-UHFFFAOYSA-N

Compound name

prop-2-enyl N-(6-hydroxyhexyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 134
Patents: 201.13649 Da
Monoisotopic Mass: 1.3
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]+	202.143766	148.5
[M+Na]+	224.125708	153.1
[M-H]-	200.129214	146.6
[M+NH4]+	219.170313	166.7
[M+K]+	240.099648	151.5
[M+H-H2O]+	184.133750	142.7
[M+HCOO]-	246.134691	170.6
[M+CH3COO]-	260.150341	185.1
[M+Na-2H]-	222.111156	151.8
[M]+	201.13594142	150.6
[M]-	201.13703858	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe