CID 86682

2-(3-cyclohexenyl)ethanol

Structural Information

Molecular Formula
C8H14O
SMILES
C1CC(CC=C1)CCO
InChI
InChI=1S/C8H14O/c9-7-6-8-4-2-1-3-5-8/h1-2,8-9H,3-7H2
InChIKey
FELLSOCIMJMONP-UHFFFAOYSA-N
Compound name
2-cyclohex-3-en-1-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

126.10446 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.111736 127.0
[M+Na]+ 149.093678 132.3
[M-H]- 125.097184 128.6
[M+NH4]+ 144.138283 148.3
[M+K]+ 165.067618 130.8
[M+H-H2O]+ 109.101720 121.9
[M+HCOO]- 171.102661 147.7
[M+CH3COO]- 185.118311 168.4
[M+Na-2H]- 147.079126 133.3
[M]+ 126.10391142 123.2
[M]- 126.10500858 123.2
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