CID 14166068

[(1r,2s,5r)-5-methyl-2-(propan-2-yl)cyclohexyl]methanol

Structural Information

Molecular Formula
C11H22O
SMILES
C[C@@H]1CC[C@H]([C@@H](C1)CO)C(C)C
InChI
InChI=1S/C11H22O/c1-8(2)11-5-4-9(3)6-10(11)7-12/h8-12H,4-7H2,1-3H3/t9-,10+,11+/m1/s1
InChIKey
AEFLYRHUYOYCLW-VWYCJHECSA-N
Compound name
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

170.16707 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.17435 141.7
[M+Na]+ 193.15629 146.4
[M-H]- 169.15979 143.3
[M+NH4]+ 188.20089 161.9
[M+K]+ 209.13023 144.8
[M+H-H2O]+ 153.16433 136.7
[M+HCOO]- 215.16527 158.9
[M+CH3COO]- 229.18092 181.0
[M+Na-2H]- 191.14174 142.8
[M]+ 170.16652 137.7
[M]- 170.16762 137.7
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

patents stripe