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

11
Patents

262.22968 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.236956 160.9
[M+Na]+ 285.218898 168.6
[M-H]- 261.222404 165.1
[M+NH4]+ 280.263503 185.5
[M+K]+ 301.192838 164.7
[M+H-H2O]+ 245.226940 157.8
[M+HCOO]- 307.227881 176.7
[M+CH3COO]- 321.243531 203.6
[M+Na-2H]- 283.204346 159.6
[M]+ 262.22913142 159.7
[M]- 262.23022858 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