CID 20841982

Ns00052688

Structural Information

Molecular Formula
C16H24O
SMILES
C[C@@H]1C2C3C4CCC(C4)C3C2C(=O)CC1(C)C
InChI
InChI=1S/C16H24O/c1-8-12-13-9-4-5-10(6-9)14(13)15(12)11(17)7-16(8,2)3/h8-10,12-15H,4-7H2,1-3H3/t8-,9?,10?,12?,13?,14?,15?/m1/s1
InChIKey
SOSVVVYMYLXPAD-DAAMBASUSA-N
Compound name
(7R)-6,6,7-trimethyltetracyclo[8.2.1.02,9.03,8]tridecan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.18271 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.189986 155.2
[M+Na]+ 255.171928 162.3
[M-H]- 231.175434 160.1
[M+NH4]+ 250.216533 176.5
[M+K]+ 271.145868 160.0
[M+H-H2O]+ 215.179970 148.3
[M+HCOO]- 277.180911 169.3
[M+CH3COO]- 291.196561 200.2
[M+Na-2H]- 253.157376 155.3
[M]+ 232.18216142 162.3
[M]- 232.18325858 162.3
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.