CID 117262

Brn 1875939

Structural Information

Molecular Formula
C11H22N2O4
SMILES
CCCC(C)(COC(=O)N)COC(=O)N(C)C
InChI
InChI=1S/C11H22N2O4/c1-5-6-11(2,7-16-9(12)14)8-17-10(15)13(3)4/h5-8H2,1-4H3,(H2,12,14)
InChIKey
BHAKPYFEBLDBCE-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-2-methylpentyl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.15796 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.165236 158.9
[M+Na]+ 269.147178 163.1
[M-H]- 245.150684 159.7
[M+NH4]+ 264.191783 176.2
[M+K]+ 285.121118 164.9
[M+H-H2O]+ 229.155220 152.9
[M+HCOO]- 291.156161 180.9
[M+CH3COO]- 305.171811 201.2
[M+Na-2H]- 267.132626 160.5
[M]+ 246.15741142 163.1
[M]- 246.15850858 163.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.