CID 14931226

2h-2,4a-methanonaphthalen-1(5h)-one, hexahydro-5,5-dimethyl-

Structural Information

Molecular Formula
C13H20O
SMILES
CC1(CCCC2C13CCC(C3)C2=O)C
InChI
InChI=1S/C13H20O/c1-12(2)6-3-4-10-11(14)9-5-7-13(10,12)8-9/h9-10H,3-8H2,1-2H3
InChIKey
BFQXSHITVXYCMS-UHFFFAOYSA-N
Compound name
2,2-dimethyl-octahydro-1H-2,4a-methanonapthalen-8-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16
Patents

192.15141 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.15869 146.6
[M+Na]+ 215.14063 154.0
[M-H]- 191.14413 150.8
[M+NH4]+ 210.18523 175.9
[M+K]+ 231.11457 150.3
[M+H-H2O]+ 175.14867 142.7
[M+HCOO]- 237.14961 164.1
[M+CH3COO]- 251.16526 159.5
[M+Na-2H]- 213.12608 149.6
[M]+ 192.15086 143.5
[M]- 192.15196 143.5
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

patents stripe