CID 106765

67674-45-7

Structural Information

Molecular Formula
C12H22O
SMILES
CCC1(CCCC1CC=C(C)C)O
InChI
InChI=1S/C12H22O/c1-4-12(13)9-5-6-11(12)8-7-10(2)3/h7,11,13H,4-6,8-9H2,1-3H3
InChIKey
IQMDCJXRLRJIMO-UHFFFAOYSA-N
Compound name
1-ethyl-2-(3-methylbut-2-enyl)cyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.16707 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.17435 145.9
[M+Na]+ 205.15629 151.4
[M-H]- 181.15979 147.5
[M+NH4]+ 200.20089 169.1
[M+K]+ 221.13023 149.0
[M+H-H2O]+ 165.16433 141.8
[M+HCOO]- 227.16527 165.1
[M+CH3COO]- 241.18092 180.6
[M+Na-2H]- 203.14174 147.0
[M]+ 182.16652 143.4
[M]- 182.16762 143.4
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

No patent data available for this compound.