CID 5352482

1-[(1e)-hex-1-en-1-yl]cyclohexan-1-ol

Structural Information

Molecular Formula
C12H22O
SMILES
CCCC/C=C/C1(CCCCC1)O
InChI
InChI=1S/C12H22O/c1-2-3-4-6-9-12(13)10-7-5-8-11-12/h6,9,13H,2-5,7-8,10-11H2,1H3/b9-6+
InChIKey
ICOITBGCXKPDQU-RMKNXTFCSA-N
Compound name
1-[(E)-hex-1-enyl]cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.16707 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.174346 145.9
[M+Na]+ 205.156288 149.7
[M-H]- 181.159794 146.8
[M+NH4]+ 200.200893 166.9
[M+K]+ 221.130228 147.0
[M+H-H2O]+ 165.164330 140.9
[M+HCOO]- 227.165271 164.0
[M+CH3COO]- 241.180921 178.9
[M+Na-2H]- 203.141736 150.0
[M]+ 182.16652142 141.6
[M]- 182.16761858 141.6
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