CID 66024992

[1-(2-methylpropyl)cyclohexyl]methanol

Structural Information

Molecular Formula
C11H22O
SMILES
CC(C)CC1(CCCCC1)CO
InChI
InChI=1S/C11H22O/c1-10(2)8-11(9-12)6-4-3-5-7-11/h10,12H,3-9H2,1-2H3
InChIKey
XTLGAMGHIWTCAH-UHFFFAOYSA-N
Compound name
[1-(2-methylpropyl)cyclohexyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

170.16707 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.17435 142.9
[M+Na]+ 193.15629 146.6
[M-H]- 169.15979 144.1
[M+NH4]+ 188.20089 164.4
[M+K]+ 209.13023 145.3
[M+H-H2O]+ 153.16433 138.2
[M+HCOO]- 215.16527 160.2
[M+CH3COO]- 229.18092 178.3
[M+Na-2H]- 191.14174 146.4
[M]+ 170.16652 138.4
[M]- 170.16762 138.4
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