CID 103890

54280-90-9

Structural Information

Molecular Formula
C12H24O2
SMILES
CC1CCC(C(C1)(CCO)O)C(C)C
InChI
InChI=1S/C12H24O2/c1-9(2)11-5-4-10(3)8-12(11,14)6-7-13/h9-11,13-14H,4-8H2,1-3H3
InChIKey
PXRXEDWPGDGPQZ-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

19
Patents

200.17763 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.18491 148.8
[M+Na]+ 223.16685 157.9
[M+NH4]+ 218.21145 157.9
[M+K]+ 239.14079 150.9
[M-H]- 199.17035 149.4
[M+Na-2H]- 221.15230 152.8
[M]+ 200.17708 150.2
[M]- 200.17818 150.2
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

patents stripe