CID 11642081

Dtxsid501022024

Structural Information

Molecular Formula
C14H26O4
SMILES
CC1CCC(C(C1)OC(=O)OC(C)CO)C(C)C
InChI
InChI=1S/C14H26O4/c1-9(2)12-6-5-10(3)7-13(12)18-14(16)17-11(4)8-15/h9-13,15H,5-8H2,1-4H3
InChIKey
ILYLFTONJARHOX-UHFFFAOYSA-N
Compound name
1-hydroxypropan-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

258.1831 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.19038 162.9
[M+Na]+ 281.17232 166.1
[M-H]- 257.17582 164.0
[M+NH4]+ 276.21692 179.2
[M+K]+ 297.14626 165.9
[M+H-H2O]+ 241.18036 157.2
[M+HCOO]- 303.18130 178.0
[M+CH3COO]- 317.19695 195.9
[M+Na-2H]- 279.15777 160.1
[M]+ 258.18255 162.4
[M]- 258.18365 162.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe