CID 117504

Cyclopentane-1,1-dimethanol, dicarbamate

Structural Information

Molecular Formula
C9H16N2O4
SMILES
C1CCC(C1)(COC(=O)N)COC(=O)N
InChI
InChI=1S/C9H16N2O4/c10-7(12)14-5-9(3-1-2-4-9)6-15-8(11)13/h1-6H2,(H2,10,12)(H2,11,13)
InChIKey
OMRAPVPZNVLTSF-UHFFFAOYSA-N
Compound name
[1-(carbamoyloxymethyl)cyclopentyl]methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.11101 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.118286 147.3
[M+Na]+ 239.100228 151.6
[M-H]- 215.103734 149.2
[M+NH4]+ 234.144833 167.8
[M+K]+ 255.074168 151.6
[M+H-H2O]+ 199.108270 141.8
[M+HCOO]- 261.109211 169.6
[M+CH3COO]- 275.124861 187.3
[M+Na-2H]- 237.085676 149.0
[M]+ 216.11046142 144.6
[M]- 216.11155858 144.6
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.