CID 91996954

Dtxsid50889221

Structural Information

Molecular Formula
C18H30
SMILES
CC1C2CCC(C2)C1CC3CC4CCC3(C4C)C
InChI
InChI=1S/C18H30/c1-11-13-4-5-15(8-13)17(11)10-16-9-14-6-7-18(16,3)12(14)2/h11-17H,4-10H2,1-3H3
InChIKey
INZGIRZITGKPFI-UHFFFAOYSA-N
Compound name
1,7-dimethyl-2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]bicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.23476 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.24204 162.4
[M+Na]+ 269.22398 169.2
[M+NH4]+ 264.26858 174.9
[M+K]+ 285.19792 167.2
[M-H]- 245.22748 164.4
[M+Na-2H]- 267.20943 161.8
[M]+ 246.23421 163.9
[M]- 246.23531 163.9
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.