CID 90830

5,9-methanobenzocycloocten-11-one, 1,2,3,4,5,6,7,8,9,10-decahydro-10-methyl-

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

7
Patents

204.15141 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.158686 145.1
[M+Na]+ 227.140628 150.2
[M-H]- 203.144134 147.8
[M+NH4]+ 222.185233 166.9
[M+K]+ 243.114568 146.5
[M+H-H2O]+ 187.148670 139.2
[M+HCOO]- 249.149611 159.0
[M+CH3COO]- 263.165261 156.3
[M+Na-2H]- 225.126076 149.7
[M]+ 204.15086142 139.2
[M]- 204.15195858 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