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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.