CID 4129098

1-cyclohexyl-3-methylbutan-1-ol

Structural Information

Molecular Formula
C11H22O
SMILES
CC(C)CC(C1CCCCC1)O
InChI
InChI=1S/C11H22O/c1-9(2)8-11(12)10-6-4-3-5-7-10/h9-12H,3-8H2,1-2H3
InChIKey
CQTNIPYUFMHSCO-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-methylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

170.16707 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.174346 143.5
[M+Na]+ 193.156288 146.0
[M-H]- 169.159794 144.3
[M+NH4]+ 188.200893 162.9
[M+K]+ 209.130228 144.8
[M+H-H2O]+ 153.164330 138.0
[M+HCOO]- 215.165271 159.7
[M+CH3COO]- 229.180921 179.6
[M+Na-2H]- 191.141736 144.5
[M]+ 170.16652142 138.0
[M]- 170.16761858 138.0
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