CID 18008825

Dtxsid901147684

Structural Information

Molecular Formula
C18H30O
SMILES
CC1C(C2CCC(C(=O)C2C1(C)C)CC(=C)C)(C)C
InChI
InChI=1S/C18H30O/c1-11(2)10-13-8-9-14-15(16(13)19)18(6,7)12(3)17(14,4)5/h12-15H,1,8-10H2,2-7H3
InChIKey
SUESCIGBVAEGRW-UHFFFAOYSA-N
Compound name
1,1,2,3,3-pentamethyl-5-(2-methylprop-2-enyl)-2,3a,5,6,7,7a-hexahydroinden-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

262.22968 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.23696 165.5
[M+Na]+ 285.21890 175.2
[M+NH4]+ 280.26350 176.8
[M+K]+ 301.19284 166.5
[M-H]- 261.22240 167.1
[M+Na-2H]- 283.20435 169.1
[M]+ 262.22913 167.6
[M]- 262.23023 167.6
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