CID 117199

2-methyl-2-propyl-1,3-propanediol acetylcarbamate carbamate

Structural Information

Molecular Formula
C11H20N2O5
SMILES
CCCC(C)(COC(=O)N)COC(=O)NC(=O)C
InChI
InChI=1S/C11H20N2O5/c1-4-5-11(3,6-17-9(12)15)7-18-10(16)13-8(2)14/h4-7H2,1-3H3,(H2,12,15)(H,13,14,16)
InChIKey
BWTYUJLNQMANLA-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-2-methylpentyl] N-acetylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1372 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.144476 160.3
[M+Na]+ 283.126418 164.3
[M-H]- 259.129924 159.6
[M+NH4]+ 278.171023 176.1
[M+K]+ 299.100358 165.1
[M+H-H2O]+ 243.134460 154.3
[M+HCOO]- 305.135401 181.2
[M+CH3COO]- 319.151051 199.3
[M+Na-2H]- 281.111866 161.6
[M]+ 260.13665142 163.1
[M]- 260.13774858 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.