CID 56843054

Einecs 284-820-6

Structural Information

Molecular Formula
C15H24O
SMILES
CC1C2CC(C2CC/C(=C\CC1=O)/C)(C)C
InChI
InChI=1S/C15H24O/c1-10-5-7-13-12(9-15(13,3)4)11(2)14(16)8-6-10/h6,11-13H,5,7-9H2,1-4H3/b10-6-
InChIKey
AXYIDWDOHUKDOI-POHAHGRESA-N
Compound name
(5Z)-2,6,10,10-tetramethylbicyclo[7.2.0]undec-5-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 148.0
[M+Na]+ 243.171928 159.1
[M-H]- 219.175434 152.0
[M+NH4]+ 238.216533 152.4
[M+K]+ 259.145868 154.0
[M+H-H2O]+ 203.179970 144.1
[M+HCOO]- 265.180911 153.9
[M+CH3COO]- 279.196561 155.5
[M+Na-2H]- 241.157376 158.5
[M]+ 220.18216142 153.1
[M]- 220.18325858 153.1
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

No patent data available for this compound.