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]+ 171.17435 143.5
[M+Na]+ 193.15629 146.0
[M-H]- 169.15979 144.3
[M+NH4]+ 188.20089 162.9
[M+K]+ 209.13023 144.8
[M+H-H2O]+ 153.16433 138.0
[M+HCOO]- 215.16527 159.7
[M+CH3COO]- 229.18092 179.6
[M+Na-2H]- 191.14174 144.5
[M]+ 170.16652 138.0
[M]- 170.16762 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