CID 90830

22690-27-3

Structural Information

Molecular Formula
C14H20O
SMILES
CC1C2CCCC(C2=O)C3=C1CCCC3
InChI
InChI=1S/C14H20O/c1-9-10-5-2-3-6-12(10)13-8-4-7-11(9)14(13)15/h9,11,13H,2-8H2,1H3
InChIKey
WJPULIHSNITDMU-UHFFFAOYSA-N
Compound name
8-methyltricyclo[7.3.1.02,7]tridec-2(7)-en-13-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

204.15141 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.15869 146.4
[M+Na]+ 227.14063 158.4
[M+NH4]+ 222.18523 157.5
[M+K]+ 243.11457 150.2
[M-H]- 203.14413 149.5
[M+Na-2H]- 225.12608 149.3
[M]+ 204.15086 149.0
[M]- 204.15196 149.0
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