CID 213082

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

Structural Information

Molecular Formula
C11H20N2O4
SMILES
C1CCC(CC1)C(COC(=O)N)COC(=O)N
InChI
InChI=1S/C11H20N2O4/c12-10(14)16-6-9(7-17-11(13)15)8-4-2-1-3-5-8/h8-9H,1-7H2,(H2,12,14)(H2,13,15)
InChIKey
FZTUYJOGFLNTCH-UHFFFAOYSA-N
Compound name
(3-carbamoyloxy-2-cyclohexylpropyl) carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.1423 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.14958 156.8
[M+Na]+ 267.13152 158.2
[M-H]- 243.13502 157.8
[M+NH4]+ 262.17612 172.2
[M+K]+ 283.10546 158.2
[M+H-H2O]+ 227.13956 149.7
[M+HCOO]- 289.14050 175.4
[M+CH3COO]- 303.15615 195.2
[M+Na-2H]- 265.11697 155.9
[M]+ 244.14175 151.8
[M]- 244.14285 151.8
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.