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]+ 273.25768 176.7
[M+Na]+ 295.23962 183.8
[M-H]- 271.24312 182.2
[M+NH4]+ 290.28422 207.1
[M+K]+ 311.21356 177.3
[M+H-H2O]+ 255.24766 174.0
[M+HCOO]- 317.24860 192.6
[M+CH3COO]- 331.26425 187.9
[M+Na-2H]- 293.22507 171.9
[M]+ 272.24985 175.0
[M]- 272.25095 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.