CID 18402

3124-44-5

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

CCC(C)(C)COC(=O)N

InChI

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

InChIKey

FPAGVRGNEOLJQY-UHFFFAOYSA-N

Compound name

2,2-dimethylbutyl carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 145.11028 Da
Monoisotopic Mass: 1.6
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]+	146.117556	132.8
[M+Na]+	168.099498	139.4
[M-H]-	144.103004	132.8
[M+NH4]+	163.144103	154.0
[M+K]+	184.073438	139.7
[M+H-H2O]+	128.107540	128.4
[M+HCOO]-	190.108481	154.9
[M+CH3COO]-	204.124131	177.8
[M+Na-2H]-	166.084946	137.9
[M]+	145.10973142	133.6
[M]-	145.11082858	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe