CID 10797012

3-cyclohexyl-2-methylpropan-1-ol

Structural Information

Molecular Formula
C10H20O
SMILES
CC(CC1CCCCC1)CO
InChI
InChI=1S/C10H20O/c1-9(8-11)7-10-5-3-2-4-6-10/h9-11H,2-8H2,1H3
InChIKey
FROCGBFQIWUEGD-UHFFFAOYSA-N
Compound name
3-cyclohexyl-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

156.15141 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.158686 138.7
[M+Na]+ 179.140628 141.9
[M-H]- 155.144134 139.6
[M+NH4]+ 174.185233 158.7
[M+K]+ 195.114568 140.5
[M+H-H2O]+ 139.148670 133.3
[M+HCOO]- 201.149611 156.3
[M+CH3COO]- 215.165261 175.7
[M+Na-2H]- 177.126076 141.6
[M]+ 156.15086142 133.5
[M]- 156.15195858 133.5
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