CID 106995

Einecs 267-912-0

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
3
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]+ 221.189986 152.3
[M+Na]+ 243.171928 161.0
[M-H]- 219.175434 156.9
[M+NH4]+ 238.216533 182.8
[M+K]+ 259.145868 156.7
[M+H-H2O]+ 203.179970 149.0
[M+HCOO]- 265.180911 169.1
[M+CH3COO]- 279.196561 191.5
[M+Na-2H]- 241.157376 155.2
[M]+ 220.18216142 150.8
[M]- 220.18325858 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.