CID 12544072

1-cyclohex-3-en-1-ylethanol

Structural Information

Molecular Formula
C8H14O
SMILES
CC(C1CCC=CC1)O
InChI
InChI=1S/C8H14O/c1-7(9)8-5-3-2-4-6-8/h2-3,7-9H,4-6H2,1H3
InChIKey
ZBTVKVSHKXTLBJ-UHFFFAOYSA-N
Compound name
1-cyclohex-3-en-1-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
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 127.3
[M+Na]+ 149.093678 132.4
[M-H]- 125.097184 129.0
[M+NH4]+ 144.138283 148.6
[M+K]+ 165.067618 131.3
[M+H-H2O]+ 109.101720 122.3
[M+HCOO]- 171.102661 147.1
[M+CH3COO]- 185.118311 169.2
[M+Na-2H]- 147.079126 132.4
[M]+ 126.10391142 122.9
[M]- 126.10500858 122.9
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