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]+ 259.165236 160.0
[M+Na]+ 281.147178 161.6
[M-H]- 257.150684 161.0
[M+NH4]+ 276.191783 175.0
[M+K]+ 297.121118 161.4
[M+H-H2O]+ 241.155220 153.3
[M+HCOO]- 303.156161 177.7
[M+CH3COO]- 317.171811 197.6
[M+Na-2H]- 279.132626 160.8
[M]+ 258.15741142 155.6
[M]- 258.15850858 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.