CID 79509

2-cyclohexylpropan-1-ol

Structural Information

Molecular Formula
C9H18O
SMILES
CC(CO)C1CCCCC1
InChI
InChI=1S/C9H18O/c1-8(7-10)9-5-3-2-4-6-9/h8-10H,2-7H2,1H3
InChIKey
IRIVQXLOJHCXIE-UHFFFAOYSA-N
Compound name
2-cyclohexylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

570
Patents

142.13577 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.143046 134.1
[M+Na]+ 165.124988 137.7
[M-H]- 141.128494 135.2
[M+NH4]+ 160.169593 154.7
[M+K]+ 181.098928 136.6
[M+H-H2O]+ 125.133030 128.9
[M+HCOO]- 187.133971 152.0
[M+CH3COO]- 201.149621 172.7
[M+Na-2H]- 163.110436 137.5
[M]+ 142.13522142 128.6
[M]- 142.13631858 128.6
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