CID 227351

2-(cyclohex-1-en-1-yl)ethan-1-ol

Structural Information

Molecular Formula
C8H14O
SMILES
C1CCC(=CC1)CCO
InChI
InChI=1S/C8H14O/c9-7-6-8-4-2-1-3-5-8/h4,9H,1-3,5-7H2
InChIKey
UOAZYMOJIMTMHR-UHFFFAOYSA-N
Compound name
2-(cyclohexen-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

187
Patents

126.10446 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.11174 127.0
[M+Na]+ 149.09368 132.3
[M-H]- 125.09718 128.6
[M+NH4]+ 144.13828 148.3
[M+K]+ 165.06762 130.8
[M+H-H2O]+ 109.10172 121.9
[M+HCOO]- 171.10266 147.7
[M+CH3COO]- 185.11831 168.4
[M+Na-2H]- 147.07913 133.3
[M]+ 126.10391 123.2
[M]- 126.10501 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