CID 18395

1-hexanol, 5,5-dimethyl-, carbamate

Structural Information

Molecular Formula

C₉H₁₉NO₂

SMILES

CC(C)(C)CCCCOC(=O)N

InChI

InChI=1S/C9H19NO2/c1-9(2,3)6-4-5-7-12-8(10)11/h4-7H2,1-3H3,(H2,10,11)

InChIKey

UWUWSCUCCLLFFD-UHFFFAOYSA-N

Compound name

5,5-dimethylhexyl carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 173.14159 Da
Monoisotopic Mass: 2.5
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]+	174.148866	142.4
[M+Na]+	196.130808	148.2
[M-H]-	172.134314	142.0
[M+NH4]+	191.175413	162.5
[M+K]+	212.104748	148.0
[M+H-H2O]+	156.138850	137.6
[M+HCOO]-	218.139791	163.8
[M+CH3COO]-	232.155441	183.2
[M+Na-2H]-	194.116256	146.4
[M]+	173.14104142	143.9
[M]-	173.14213858	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe