CID 46187193

Sodorifen

Structural Information

Molecular Formula
C16H26
SMILES
C[C@@H]1C(=C)[C@@H]([C@@]2(C([C@]1(C(=C2C)C)C)C)C)C
InChI
InChI=1S/C16H26/c1-9-10(2)15(7)12(4)13(5)16(8,11(9)3)14(15)6/h10-11,14H,1H2,2-8H3/t10-,11+,14?,15-,16+
InChIKey
GXPHTJFKVOCWKQ-PDLCYRHZSA-N
Compound name
(1R,2S,4R,5S)-1,2,4,5,6,7,8-heptamethyl-3-methylidenebicyclo[3.2.1]oct-6-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

2
Patents

218.20345 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.21073 147.0
[M+Na]+ 241.19267 158.0
[M-H]- 217.19617 151.1
[M+NH4]+ 236.23727 174.8
[M+K]+ 257.16661 153.8
[M+H-H2O]+ 201.20071 144.7
[M+HCOO]- 263.20165 165.4
[M+CH3COO]- 277.21730 197.6
[M+Na-2H]- 239.17812 149.2
[M]+ 218.20290 148.7
[M]- 218.20400 148.7
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