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: 11
Patents: 170.16707 Da
Monoisotopic Mass: 3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	171.17435	141.1
[M+Na]+	193.15629	151.4
[M+NH4]+	188.20089	149.9
[M+K]+	209.13023	145.4
[M-H]-	169.15979	142.9
[M+Na-2H]-	191.14174	144.8
[M]+	170.16652	142.9
[M]-	170.16762	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe