CID 25076635

94713-18-5

Structural Information

Molecular Formula
C18H30O
SMILES
CC1CC(C(C2C1CCC2)C)C3CCC(=O)C(C3)C
InChI
InChI=1S/C18H30O/c1-11-10-17(13(3)16-6-4-5-15(11)16)14-7-8-18(19)12(2)9-14/h11-17H,4-10H2,1-3H3
InChIKey
HESUAYWGYLKVEU-UHFFFAOYSA-N
Compound name
4-(4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-2-methylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.22968 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.236956 167.0
[M+Na]+ 285.218898 170.9
[M-H]- 261.222404 173.0
[M+NH4]+ 280.263503 186.8
[M+K]+ 301.192838 166.6
[M+H-H2O]+ 245.226940 160.8
[M+HCOO]- 307.227881 180.6
[M+CH3COO]- 321.243531 201.1
[M+Na-2H]- 283.204346 162.8
[M]+ 262.22913142 159.4
[M]- 262.23022858 159.4
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.