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

28
Patents

156.15141 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.15869 138.7
[M+Na]+ 179.14063 141.9
[M-H]- 155.14413 139.6
[M+NH4]+ 174.18523 158.7
[M+K]+ 195.11457 140.5
[M+H-H2O]+ 139.14867 133.3
[M+HCOO]- 201.14961 156.3
[M+CH3COO]- 215.16526 175.7
[M+Na-2H]- 177.12608 141.6
[M]+ 156.15086 133.5
[M]- 156.15196 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