CID 70763

3-cyclohexylpropan-1-ol

Structural Information

Molecular Formula
C9H18O
SMILES
C1CCC(CC1)CCCO
InChI
InChI=1S/C9H18O/c10-8-4-7-9-5-2-1-3-6-9/h9-10H,1-8H2
InChIKey
CLYAQFSQLQTVNO-UHFFFAOYSA-N
Compound name
3-cyclohexylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2100
Patents

142.13577 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.143046 133.7
[M+Na]+ 165.124988 137.5
[M-H]- 141.128494 134.7
[M+NH4]+ 160.169593 154.3
[M+K]+ 181.098928 136.0
[M+H-H2O]+ 125.133030 128.4
[M+HCOO]- 187.133971 152.6
[M+CH3COO]- 201.149621 171.8
[M+Na-2H]- 163.110436 138.4
[M]+ 142.13522142 128.8
[M]- 142.13631858 128.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe