CID 3018636

4-vinylcyclohexan-1-ol

Structural Information

Molecular Formula
C8H14O
SMILES
C=CC1CCC(CC1)O
InChI
InChI=1S/C8H14O/c1-2-7-3-5-8(9)6-4-7/h2,7-9H,1,3-6H2
InChIKey
MYKPQTQXWQAXPP-UHFFFAOYSA-N
Compound name
4-ethenylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

328
Patents

126.10446 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.111736 127.1
[M+Na]+ 149.093678 132.6
[M-H]- 125.097184 128.8
[M+NH4]+ 144.138283 148.6
[M+K]+ 165.067618 130.7
[M+H-H2O]+ 109.101720 122.4
[M+HCOO]- 171.102661 146.5
[M+CH3COO]- 185.118311 169.0
[M+Na-2H]- 147.079126 131.7
[M]+ 126.10391142 121.5
[M]- 126.10500858 121.5
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