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
3
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 145.1
[M+Na]+ 227.14063 150.2
[M-H]- 203.14413 147.8
[M+NH4]+ 222.18523 166.9
[M+K]+ 243.11457 146.5
[M+H-H2O]+ 187.14867 139.2
[M+HCOO]- 249.14961 159.0
[M+CH3COO]- 263.16526 156.3
[M+Na-2H]- 225.12608 149.7
[M]+ 204.15086 139.2
[M]- 204.15196 139.2
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