CID 14166068

27373-94-0

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

10
Patents

170.16707 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.174346 141.7
[M+Na]+ 193.156288 146.4
[M-H]- 169.159794 143.3
[M+NH4]+ 188.200893 161.9
[M+K]+ 209.130228 144.8
[M+H-H2O]+ 153.164330 136.7
[M+HCOO]- 215.165271 158.9
[M+CH3COO]- 229.180921 181.0
[M+Na-2H]- 191.141736 142.8
[M]+ 170.16652142 137.7
[M]- 170.16761858 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