CID 3018632

1-cyclohexylpropan-2-ol

Structural Information

Molecular Formula
C9H18O
SMILES
CC(CC1CCCCC1)O
InChI
InChI=1S/C9H18O/c1-8(10)7-9-5-3-2-4-6-9/h8-10H,2-7H2,1H3
InChIKey
HJUJYGDGYXVQCZ-UHFFFAOYSA-N
Compound name
1-cyclohexylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

142.13577 Da
Monoisotopic Mass

3.2
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

No literature data available for this compound.

Patent stripe

patents stripe