CID 3016411

3-ethenylcyclohexan-1-ol

Structural Information

Molecular Formula
C8H14O
SMILES
C=CC1CCCC(C1)O
InChI
InChI=1S/C8H14O/c1-2-7-4-3-5-8(9)6-7/h2,7-9H,1,3-6H2
InChIKey
ZYBGGGUBHNFAEV-UHFFFAOYSA-N
Compound name
3-ethenylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

107
Patents

126.10446 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.11174 127.1
[M+Na]+ 149.09368 132.6
[M-H]- 125.09718 128.8
[M+NH4]+ 144.13828 148.6
[M+K]+ 165.06762 130.7
[M+H-H2O]+ 109.10172 122.4
[M+HCOO]- 171.10266 146.5
[M+CH3COO]- 185.11831 169.0
[M+Na-2H]- 147.07913 131.7
[M]+ 126.10391 121.5
[M]- 126.10501 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

literature stripe

Patent stripe

patents stripe