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
2
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 169.8
[M+Na]+ 269.22398 176.2
[M-H]- 245.22748 175.3
[M+NH4]+ 264.26858 199.3
[M+K]+ 285.19792 171.2
[M+H-H2O]+ 229.23202 167.0
[M+HCOO]- 291.23296 186.1
[M+CH3COO]- 305.24861 181.3
[M+Na-2H]- 267.20943 164.8
[M]+ 246.23421 167.9
[M]- 246.23531 167.9
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.