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 160.9
[M+Na]+ 285.21890 168.6
[M-H]- 261.22240 165.1
[M+NH4]+ 280.26350 185.5
[M+K]+ 301.19284 164.7
[M+H-H2O]+ 245.22694 157.8
[M+HCOO]- 307.22788 176.7
[M+CH3COO]- 321.24353 203.6
[M+Na-2H]- 283.20435 159.6
[M]+ 262.22913 159.7
[M]- 262.23023 159.7
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