CID 109303

Einecs 269-752-7

Structural Information

Molecular Formula
C16H26O
SMILES
CCC(=O)C1CC2C(CC1C)C=CCC2(C)C
InChI
InChI=1S/C16H26O/c1-5-15(17)13-10-14-12(9-11(13)2)7-6-8-16(14,3)4/h6-7,11-14H,5,8-10H2,1-4H3
InChIKey
MVHVQIVFVLTBFT-UHFFFAOYSA-N
Compound name
1-(3,8,8-trimethyl-2,3,4,4a,7,8a-hexahydro-1H-naphthalen-2-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.19836 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.20564 158.0
[M+Na]+ 257.18758 169.4
[M+NH4]+ 252.23218 168.8
[M+K]+ 273.16152 160.0
[M-H]- 233.19108 160.9
[M+Na-2H]- 255.17303 162.9
[M]+ 234.19781 160.6
[M]- 234.19891 160.6
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

No patent data available for this compound.