CID 173107

68867-57-2

Structural Information

Molecular Formula
C17H26O
SMILES
CC1CCC23CC1C(C2C(C=C3C)C(=O)C)(C)C
InChI
InChI=1S/C17H26O/c1-10-6-7-17-9-14(10)16(4,5)15(17)13(12(3)18)8-11(17)2/h8,10,13-15H,6-7,9H2,1-5H3
InChIKey
UTLJUSIICBRVLA-UHFFFAOYSA-N
Compound name
1-(2,6,6,8-tetramethyl-4-tricyclo[5.3.1.01,5]undec-2-enyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.19836 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.20564 160.6
[M+Na]+ 269.18758 168.8
[M-H]- 245.19108 165.2
[M+NH4]+ 264.23218 188.4
[M+K]+ 285.16152 164.5
[M+H-H2O]+ 229.19562 157.2
[M+HCOO]- 291.19656 177.1
[M+CH3COO]- 305.21221 199.1
[M+Na-2H]- 267.17303 160.4
[M]+ 246.19781 160.5
[M]- 246.19891 160.5
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.