CID 22074297

4-ethynylcyclohexan-1-ol

Structural Information

Molecular Formula
C8H12O
SMILES
C#CC1CCC(CC1)O
InChI
InChI=1S/C8H12O/c1-2-7-3-5-8(9)6-4-7/h1,7-9H,3-6H2
InChIKey
XZDCGONRANCJLK-UHFFFAOYSA-N
Compound name
4-ethynylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

124.08881 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.096086 125.5
[M+Na]+ 147.078028 134.0
[M-H]- 123.081534 126.5
[M+NH4]+ 142.122633 144.9
[M+K]+ 163.051968 130.4
[M+H-H2O]+ 107.086070 115.2
[M+HCOO]- 169.087011 139.8
[M+CH3COO]- 183.102661 177.7
[M+Na-2H]- 145.063476 129.8
[M]+ 124.08826142 115.5
[M]- 124.08935858 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