CID 6450266

Refchem:119686

Structural Information

Molecular Formula
C20H32
SMILES
CC1(C2CCC(C2)C1/C=C/C3C4CCC(C4)C3(C)C)C
InChI
InChI=1S/C20H32/c1-19(2)15-7-5-13(11-15)17(19)9-10-18-14-6-8-16(12-14)20(18,3)4/h9-10,13-18H,5-8,11-12H2,1-4H3/b10-9+
InChIKey
OVBPQEVETHUSDI-MDZDMXLPSA-N
Compound name
3-[(E)-2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)ethenyl]-2,2-dimethylbicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.2504 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.257676 176.7
[M+Na]+ 295.239618 183.8
[M-H]- 271.243124 182.2
[M+NH4]+ 290.284223 207.1
[M+K]+ 311.213558 177.3
[M+H-H2O]+ 255.247660 174.0
[M+HCOO]- 317.248601 192.6
[M+CH3COO]- 331.264251 187.9
[M+Na-2H]- 293.225066 171.9
[M]+ 272.24985142 175.0
[M]- 272.25094858 175.0
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.