CID 90843616

Pyridine, 4-[1(4-,5 or 6)-methylbicyclo[2.2.1]hept-5-en-2-yl]-

Structural Information

Molecular Formula
C13H15N
SMILES
CC1=CC2CC1CC2C3=CC=NC=C3
InChI
InChI=1S/C13H15N/c1-9-6-12-7-11(9)8-13(12)10-2-4-14-5-3-10/h2-6,11-13H,7-8H2,1H3
InChIKey
DYJDKLWLJIUGOW-UHFFFAOYSA-N
Compound name
4-(5-methyl-2-bicyclo[2.2.1]hept-5-enyl)pyridine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4
Patents

185.12045 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.12773 141.5
[M+Na]+ 208.10967 150.1
[M-H]- 184.11317 146.8
[M+NH4]+ 203.15427 165.5
[M+K]+ 224.08361 146.5
[M+H-H2O]+ 168.11771 135.4
[M+HCOO]- 230.11865 163.4
[M+CH3COO]- 244.13430 155.3
[M+Na-2H]- 206.09512 145.2
[M]+ 185.11990 141.1
[M]- 185.12100 141.1
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

patents stripe