CID 117592

1,3-propanediol, 2-methyl-2-propyl-, bis(methylcarbamate)

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.15796 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.165236 159.2
[M+Na]+ 269.147178 163.2
[M-H]- 245.150684 159.0
[M+NH4]+ 264.191783 176.1
[M+K]+ 285.121118 163.9
[M+H-H2O]+ 229.155220 153.2
[M+HCOO]- 291.156161 181.3
[M+CH3COO]- 305.171811 197.7
[M+Na-2H]- 267.132626 162.5
[M]+ 246.15741142 163.0
[M]- 246.15850858 163.0
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.