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]+ 221.18999 152.4
[M+Na]+ 243.17193 159.1
[M-H]- 219.17543 157.3
[M+NH4]+ 238.21653 180.2
[M+K]+ 259.14587 155.4
[M+H-H2O]+ 203.17997 147.4
[M+HCOO]- 265.18091 167.7
[M+CH3COO]- 279.19656 190.2
[M+Na-2H]- 241.15738 156.3
[M]+ 220.18216 147.6
[M]- 220.18326 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