CID 22836919

Schembl29386020

Structural Information

Molecular Formula
C20H34
SMILES
C1CCC2C(C1)CCC2CCC3CCC4C3CCCC4
InChI
InChI=1S/C20H34/c1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18/h15-20H,1-14H2
InChIKey
JYIXXMWSMIGVTF-UHFFFAOYSA-N
Compound name
1-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

143
Patents

274.26605 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.273326 174.0
[M+Na]+ 297.255268 174.2
[M-H]- 273.258774 179.3
[M+NH4]+ 292.299873 194.9
[M+K]+ 313.229208 168.8
[M+H-H2O]+ 257.263310 167.0
[M+HCOO]- 319.264251 185.7
[M+CH3COO]- 333.279901 182.2
[M+Na-2H]- 295.240716 169.0
[M]+ 274.26550142 163.1
[M]- 274.26659858 163.1
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