CID 107065

Vertofix coeur

Structural Information

Molecular Formula
C17H26O
SMILES
CC1CCC2C13CC(C2(C)C)C(=C(C3)C(=O)C)C
InChI
InChI=1S/C17H26O/c1-10-6-7-15-16(4,5)14-9-17(10,15)8-13(11(14)2)12(3)18/h10,14-15H,6-9H2,1-5H3
InChIKey
YBUIAJZFOGJGLJ-UHFFFAOYSA-N
Compound name
1-(2,6,6,8-tetramethyl-9-tricyclo[5.3.1.01,5]undec-8-enyl)ethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

3297
Patents

246.19836 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.20564 159.5
[M+Na]+ 269.18758 168.8
[M+NH4]+ 264.23218 172.1
[M+K]+ 285.16152 162.0
[M-H]- 245.19108 161.1
[M+Na-2H]- 267.17303 162.5
[M]+ 246.19781 161.6
[M]- 246.19891 161.6
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