CID 106765

Einecs 266-884-7

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
2
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]+ 183.174346 145.9
[M+Na]+ 205.156288 151.4
[M-H]- 181.159794 147.5
[M+NH4]+ 200.200893 169.1
[M+K]+ 221.130228 149.0
[M+H-H2O]+ 165.164330 141.8
[M+HCOO]- 227.165271 165.1
[M+CH3COO]- 241.180921 180.6
[M+Na-2H]- 203.141736 147.0
[M]+ 182.16652142 143.4
[M]- 182.16761858 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.