CID 73857

Dimebamate

Structural Information

Molecular Formula

C₇H₁₄N₂O₄

SMILES

CC(C)(COC(=O)N)COC(=O)N

InChI

InChI=1S/C7H14N2O4/c1-7(2,3-12-5(8)10)4-13-6(9)11/h3-4H2,1-2H3,(H2,8,10)(H2,9,11)

InChIKey

NTJIXQIWOUPKIF-UHFFFAOYSA-N

Compound name

(3-carbamoyloxy-2,2-dimethylpropyl) carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 190.09535 Da
Monoisotopic Mass: -0.2
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]+	191.102626	141.0
[M+Na]+	213.084568	146.5
[M-H]-	189.088074	140.3
[M+NH4]+	208.129173	159.3
[M+K]+	229.058508	147.4
[M+H-H2O]+	173.092610	135.6
[M+HCOO]-	235.093551	163.0
[M+CH3COO]-	249.109201	185.8
[M+Na-2H]-	211.070016	144.1
[M]+	190.09480142	141.3
[M]-	190.09589858	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe