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]+ 245.149576 156.8
[M+Na]+ 267.131518 158.2
[M-H]- 243.135024 157.8
[M+NH4]+ 262.176123 172.2
[M+K]+ 283.105458 158.2
[M+H-H2O]+ 227.139560 149.7
[M+HCOO]- 289.140501 175.4
[M+CH3COO]- 303.156151 195.2
[M+Na-2H]- 265.116966 155.9
[M]+ 244.14175142 151.8
[M]- 244.14284858 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.