CID 117241

25451-52-9

Structural Information

Molecular Formula

C₈H₁₇NO₃

SMILES

CCCCC(CO)COC(=O)N

InChI

InChI=1S/C8H17NO3/c1-2-3-4-7(5-10)6-12-8(9)11/h7,10H,2-6H2,1H3,(H2,9,11)

InChIKey

YLQRXLUMXFSAAG-UHFFFAOYSA-N

Compound name

2-(hydroxymethyl)hexyl carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 175.12085 Da
Monoisotopic Mass: 1.1
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]+	176.12813	140.4
[M+Na]+	198.11007	147.4
[M+NH4]+	193.15467	146.2
[M+K]+	214.08401	144.0
[M-H]-	174.11357	138.2
[M+Na-2H]-	196.09552	141.3
[M]+	175.12030	140.2
[M]-	175.12140	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.