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]+ 201.184906 149.2
[M+Na]+ 223.166848 154.0
[M-H]- 199.170354 149.5
[M+NH4]+ 218.211453 169.4
[M+K]+ 239.140788 152.0
[M+H-H2O]+ 183.174890 145.1
[M+HCOO]- 245.175831 164.8
[M+CH3COO]- 259.191481 183.1
[M+Na-2H]- 221.152296 150.5
[M]+ 200.17708142 145.5
[M]- 200.17817858 145.5
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