CID 106995

Hexahydro-1,1,5,5-tetramethyl-2h-2,4a-methanonaphthalen-6(5h)-one

Structural Information

Molecular Formula
C15H24O
SMILES
CC1(C2CCC3(C2)C1CCC(=O)C3(C)C)C
InChI
InChI=1S/C15H24O/c1-13(2)10-7-8-15(9-10)11(13)5-6-12(16)14(15,3)4/h10-11H,5-9H2,1-4H3
InChIKey
NILGFRKAXFZEPN-UHFFFAOYSA-N
Compound name
2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 152.3
[M+Na]+ 243.17193 161.0
[M-H]- 219.17543 156.9
[M+NH4]+ 238.21653 182.8
[M+K]+ 259.14587 156.7
[M+H-H2O]+ 203.17997 149.0
[M+HCOO]- 265.18091 169.1
[M+CH3COO]- 279.19656 191.5
[M+Na-2H]- 241.15738 155.2
[M]+ 220.18216 150.8
[M]- 220.18326 150.8
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.