CID 106835

67814-48-6

Structural Information

Molecular Formula
C15H24O
SMILES
CC1C(=O)CCC2(C13CCCC2(CC3)C)C
InChI
InChI=1S/C15H24O/c1-11-12(16)5-8-14(3)13(2)6-4-7-15(11,14)10-9-13/h11H,4-10H2,1-3H3
InChIKey
JQHYUGVPUKWTMN-UHFFFAOYSA-N
Compound name
2,6,7-trimethyltricyclo[5.3.2.01,6]dodecan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

220.18271 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 152.4
[M+Na]+ 243.171928 159.1
[M-H]- 219.175434 157.3
[M+NH4]+ 238.216533 180.2
[M+K]+ 259.145868 155.4
[M+H-H2O]+ 203.179970 147.4
[M+HCOO]- 265.180911 167.7
[M+CH3COO]- 279.196561 190.2
[M+Na-2H]- 241.157376 156.3
[M]+ 220.18216142 147.6
[M]- 220.18325858 147.6
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