CID 23373852

3-ethynylcyclohexan-1-ol

Structural Information

Molecular Formula
C8H12O
SMILES
C#CC1CCCC(C1)O
InChI
InChI=1S/C8H12O/c1-2-7-4-3-5-8(9)6-7/h1,7-9H,3-6H2
InChIKey
WLEJRZPQQXAKPJ-UHFFFAOYSA-N
Compound name
3-ethynylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

124.08881 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.09609 125.5
[M+Na]+ 147.07803 134.0
[M-H]- 123.08153 126.5
[M+NH4]+ 142.12263 144.9
[M+K]+ 163.05197 130.4
[M+H-H2O]+ 107.08607 115.2
[M+HCOO]- 169.08701 139.8
[M+CH3COO]- 183.10266 177.7
[M+Na-2H]- 145.06348 129.8
[M]+ 124.08826 115.5
[M]- 124.08936 115.5
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