CID 121363

1146-18-5

Structural Information

Molecular Formula
C12H22N2O4
SMILES
CC(COC(=O)N)(COC(=O)N)C1CCCCC1
InChI
InChI=1S/C12H22N2O4/c1-12(7-17-10(13)15,8-18-11(14)16)9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H2,13,15)(H2,14,16)
InChIKey
BXDCHFVFANYXKP-UHFFFAOYSA-N
Compound name
(3-carbamoyloxy-2-cyclohexyl-2-methylpropyl) carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.15796 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.16524 160.0
[M+Na]+ 281.14718 161.6
[M-H]- 257.15068 161.0
[M+NH4]+ 276.19178 175.0
[M+K]+ 297.12112 161.4
[M+H-H2O]+ 241.15522 153.3
[M+HCOO]- 303.15616 177.7
[M+CH3COO]- 317.17181 197.6
[M+Na-2H]- 279.13263 160.8
[M]+ 258.15741 155.6
[M]- 258.15851 155.6
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.