CID 117248

1,3-propanediol, 2-methyl-2-(1-methylbutyl)-, dicarbamate

Structural Information

Molecular Formula
C11H22N2O4
SMILES
CCCC(C)C(C)(COC(=O)N)COC(=O)N
InChI
InChI=1S/C11H22N2O4/c1-4-5-8(2)11(3,6-16-9(12)14)7-17-10(13)15/h8H,4-7H2,1-3H3,(H2,12,14)(H2,13,15)
InChIKey
OVMFJEGBXVTDOL-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-2,3-dimethylhexyl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.15796 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.165236 159.5
[M+Na]+ 269.147178 163.1
[M-H]- 245.150684 158.2
[M+NH4]+ 264.191783 175.6
[M+K]+ 285.121118 163.7
[M+H-H2O]+ 229.155220 153.5
[M+HCOO]- 291.156161 179.3
[M+CH3COO]- 305.171811 198.8
[M+Na-2H]- 267.132626 159.4
[M]+ 246.15741142 160.7
[M]- 246.15850858 160.7
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.