CID 20706073

733051-51-9

Structural Information

Molecular Formula
C18H30
SMILES
CC1C2CCC(C2)C1CC3(C(C4CCC3C4)C)C
InChI
InChI=1S/C18H30/c1-11-13-4-5-15(8-13)17(11)10-18(3)12(2)14-6-7-16(18)9-14/h11-17H,4-10H2,1-3H3
InChIKey
UGJQHDCYGHLHQJ-UHFFFAOYSA-N
Compound name
2,3-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

40
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

literature stripe

Patent stripe

patents stripe