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]+ 217.11829 147.3
[M+Na]+ 239.10023 151.6
[M-H]- 215.10373 149.2
[M+NH4]+ 234.14483 167.8
[M+K]+ 255.07417 151.6
[M+H-H2O]+ 199.10827 141.8
[M+HCOO]- 261.10921 169.6
[M+CH3COO]- 275.12486 187.3
[M+Na-2H]- 237.08568 149.0
[M]+ 216.11046 144.6
[M]- 216.11156 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.