CID 175661

Nectaryl

Structural Information

Molecular Formula
C15H24O
SMILES
CC1=CCC(CC1)C(C)CC2CCCC2=O
InChI
InChI=1S/C15H24O/c1-11-6-8-13(9-7-11)12(2)10-14-4-3-5-15(14)16/h6,12-14H,3-5,7-10H2,1-2H3
InChIKey
KNHGOYVXAHUDHP-UHFFFAOYSA-N
Compound name
2-[2-(4-methylcyclohex-3-en-1-yl)propyl]cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2160
Patents

220.18271 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 155.4
[M+Na]+ 243.17193 165.5
[M+NH4]+ 238.21653 164.5
[M+K]+ 259.14587 160.1
[M-H]- 219.17543 159.0
[M+Na-2H]- 241.15738 160.0
[M]+ 220.18216 157.7
[M]- 220.18326 157.7
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