CID 212995

Brn 3060310

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]+ 273.18088 164.4
[M+Na]+ 295.16282 165.6
[M-H]- 271.16632 165.2
[M+NH4]+ 290.20742 178.9
[M+K]+ 311.13676 165.2
[M+H-H2O]+ 255.17086 157.6
[M+HCOO]- 317.17180 181.8
[M+CH3COO]- 331.18745 200.6
[M+Na-2H]- 293.14827 164.8
[M]+ 272.17305 160.4
[M]- 272.17415 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.