CID 10421034

(6r)-3-methyl-6-[(2s)-6-methylhept-5-en-2-yl]cyclohex-2-en-1-one

Structural Information

Molecular Formula
C15H24O
SMILES
CC1=CC(=O)[C@H](CC1)[C@@H](C)CCC=C(C)C
InChI
InChI=1S/C15H24O/c1-11(2)6-5-7-13(4)14-9-8-12(3)10-15(14)16/h6,10,13-14H,5,7-9H2,1-4H3/t13-,14+/m0/s1
InChIKey
KNOUERLLBMJGLF-UONOGXRCSA-N
Compound name
(6R)-3-methyl-6-[(2S)-6-methylhept-5-en-2-yl]cyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

220.18271 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 154.1
[M+Na]+ 243.171928 159.0
[M-H]- 219.175434 156.9
[M+NH4]+ 238.216533 172.9
[M+K]+ 259.145868 156.4
[M+H-H2O]+ 203.179970 148.4
[M+HCOO]- 265.180911 172.4
[M+CH3COO]- 279.196561 193.8
[M+Na-2H]- 241.157376 153.4
[M]+ 220.18216142 152.8
[M]- 220.18325858 152.8
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