CID 212995

1,3-propanediol, 2-cyclohexyl-2-ethyl-, dicarbamate

Structural Information

Molecular Formula
C13H24N2O4
SMILES
CCC(COC(=O)N)(COC(=O)N)C1CCCCC1
InChI
InChI=1S/C13H24N2O4/c1-2-13(8-18-11(14)16,9-19-12(15)17)10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H2,14,16)(H2,15,17)
InChIKey
OGAATJGNSCHZJI-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-2-cyclohexylbutyl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1736 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.180876 164.4
[M+Na]+ 295.162818 165.6
[M-H]- 271.166324 165.2
[M+NH4]+ 290.207423 178.9
[M+K]+ 311.136758 165.2
[M+H-H2O]+ 255.170860 157.6
[M+HCOO]- 317.171801 181.8
[M+CH3COO]- 331.187451 200.6
[M+Na-2H]- 293.148266 164.8
[M]+ 272.17305142 160.4
[M]- 272.17414858 160.4
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.