CID 6437428

2-(3,7-dimethyl-2,6-octadienyl)cyclopentanone

Structural Information

Molecular Formula
C15H24O
SMILES
CC(=CCC/C(=C/CC1CCCC1=O)/C)C
InChI
InChI=1S/C15H24O/c1-12(2)6-4-7-13(3)10-11-14-8-5-9-15(14)16/h6,10,14H,4-5,7-9,11H2,1-3H3/b13-10+
InChIKey
ZNSALEJHPSBXDK-JLHYYAGUSA-N
Compound name
2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

2
References

639
Patents

220.18271 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 158.1
[M+Na]+ 243.171928 162.3
[M-H]- 219.175434 160.4
[M+NH4]+ 238.216533 178.3
[M+K]+ 259.145868 159.1
[M+H-H2O]+ 203.179970 152.4
[M+HCOO]- 265.180911 177.2
[M+CH3COO]- 279.196561 191.2
[M+Na-2H]- 241.157376 155.6
[M]+ 220.18216142 156.2
[M]- 220.18325858 156.2
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