CID 18400

3,3-dimethyl-1-butanol carbamate

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

CC(C)(C)CCOC(=O)N

InChI

InChI=1S/C7H15NO2/c1-7(2,3)4-5-10-6(8)9/h4-5H2,1-3H3,(H2,8,9)

InChIKey

DOBPAXBDQAYQMF-UHFFFAOYSA-N

Compound name

3,3-dimethylbutyl carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 73
Patents: 145.11028 Da
Monoisotopic Mass: 1.5
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]+	146.11756	133.0
[M+Na]+	168.09950	139.7
[M-H]-	144.10300	133.1
[M+NH4]+	163.14410	154.3
[M+K]+	184.07344	140.0
[M+H-H2O]+	128.10754	128.7
[M+HCOO]-	190.10848	155.1
[M+CH3COO]-	204.12413	177.1
[M+Na-2H]-	166.08495	138.2
[M]+	145.10973	133.8
[M]-	145.11083	133.8

Literature stripe

literature stripe

Patent stripe

patents stripe