CID 24798689

Stemod-13(17)-ene

Structural Information

Molecular Formula
C20H32
SMILES
C[C@]12CCCC([C@@H]1CC[C@@H]3[C@]24CCC(=C)[C@@H](C3)C4)(C)C
InChI
InChI=1S/C20H32/c1-14-8-11-20-13-15(14)12-16(20)6-7-17-18(2,3)9-5-10-19(17,20)4/h15-17H,1,5-13H2,2-4H3/t15-,16-,17-,19-,20+/m0/s1
InChIKey
GNNRCBBKCVNPSC-VDWQKOAOSA-N
Compound name
(1R,2S,7S,10S,12S)-2,6,6-trimethyl-13-methylidenetetracyclo[10.3.1.01,10.02,7]hexadecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

55
Patents

272.2504 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.25768 170.9
[M+Na]+ 295.23962 175.7
[M-H]- 271.24312 174.2
[M+NH4]+ 290.28422 197.8
[M+K]+ 311.21356 169.3
[M+H-H2O]+ 255.24766 163.8
[M+HCOO]- 317.24860 180.0
[M+CH3COO]- 331.26425 180.2
[M+Na-2H]- 293.22507 171.8
[M]+ 272.24985 162.7
[M]- 272.25095 162.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe