CID 21117878

Skxnliaxwbqjgl-uhfffaoysa-n

Structural Information

Molecular Formula
C12H24O2
SMILES
CC1CCC(C(C1)(C(C)O)O)C(C)C
InChI
InChI=1S/C12H24O2/c1-8(2)11-6-5-9(3)7-12(11,14)10(4)13/h8-11,13-14H,5-7H2,1-4H3
InChIKey
SKXNLIAXWBQJGL-UHFFFAOYSA-N
Compound name
1-(1-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.17763 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.184906 149.0
[M+Na]+ 223.166848 153.5
[M-H]- 199.170354 149.4
[M+NH4]+ 218.211453 169.2
[M+K]+ 239.140788 152.1
[M+H-H2O]+ 183.174890 145.2
[M+HCOO]- 245.175831 163.6
[M+CH3COO]- 259.191481 184.0
[M+Na-2H]- 221.152296 149.1
[M]+ 200.17708142 144.7
[M]- 200.17817858 144.7
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.