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]+ 247.242036 169.8
[M+Na]+ 269.223978 176.2
[M-H]- 245.227484 175.3
[M+NH4]+ 264.268583 199.3
[M+K]+ 285.197918 171.2
[M+H-H2O]+ 229.232020 167.0
[M+HCOO]- 291.232961 186.1
[M+CH3COO]- 305.248611 181.3
[M+Na-2H]- 267.209426 164.8
[M]+ 246.23421142 167.9
[M]- 246.23530858 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.