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]+ 261.14448 160.3
[M+Na]+ 283.12642 164.3
[M-H]- 259.12992 159.6
[M+NH4]+ 278.17102 176.1
[M+K]+ 299.10036 165.1
[M+H-H2O]+ 243.13446 154.3
[M+HCOO]- 305.13540 181.2
[M+CH3COO]- 319.15105 199.3
[M+Na-2H]- 281.11187 161.6
[M]+ 260.13665 163.1
[M]- 260.13775 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.