CID 60109071

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(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-LSLKUGRBSA-N
Compound name
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

0
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]+ 221.18999 154.1
[M+Na]+ 243.17193 159.0
[M-H]- 219.17543 156.9
[M+NH4]+ 238.21653 172.9
[M+K]+ 259.14587 156.4
[M+H-H2O]+ 203.17997 148.4
[M+HCOO]- 265.18091 172.4
[M+CH3COO]- 279.19656 193.8
[M+Na-2H]- 241.15738 153.4
[M]+ 220.18216 152.8
[M]- 220.18326 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

No literature data available for this compound.

Patent stripe

patents stripe