CID 5367848

(e)-2-(2-octenyl)cyclopentanone

Structural Information

Molecular Formula
C13H22O
SMILES
CCCCC/C=C/CC1CCCC1=O
InChI
InChI=1S/C13H22O/c1-2-3-4-5-6-7-9-12-10-8-11-13(12)14/h6-7,12H,2-5,8-11H2,1H3/b7-6+
InChIKey
QHEUOYOHVATZEB-VOTSOKGWSA-N
Compound name
2-[(E)-oct-2-enyl]cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

209
Patents

194.16707 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.174346 149.3
[M+Na]+ 217.156288 154.5
[M-H]- 193.159794 151.7
[M+NH4]+ 212.200893 170.7
[M+K]+ 233.130228 151.5
[M+H-H2O]+ 177.164330 143.7
[M+HCOO]- 239.165271 170.9
[M+CH3COO]- 253.180921 185.1
[M+Na-2H]- 215.141736 150.4
[M]+ 194.16652142 148.8
[M]- 194.16761858 148.8
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