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

22
Patents

170.16707 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.174346 142.9
[M+Na]+ 193.156288 146.6
[M-H]- 169.159794 144.1
[M+NH4]+ 188.200893 164.4
[M+K]+ 209.130228 145.3
[M+H-H2O]+ 153.164330 138.2
[M+HCOO]- 215.165271 160.2
[M+CH3COO]- 229.180921 178.3
[M+Na-2H]- 191.141736 146.4
[M]+ 170.16652142 138.4
[M]- 170.16761858 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