CID 44151253

Einecs 283-835-5

Structural Information

Molecular Formula
C15H19N
SMILES
CC1(C2CCC1(C(=C2)C3=CC=CC=N3)C)C
InChI
InChI=1S/C15H19N/c1-14(2)11-7-8-15(14,3)12(10-11)13-6-4-5-9-16-13/h4-6,9-11H,7-8H2,1-3H3
InChIKey
NUKWWIUNFJZQDK-UHFFFAOYSA-N
Compound name
2-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

213.15175 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.159026 149.6
[M+Na]+ 236.140968 159.5
[M-H]- 212.144474 155.3
[M+NH4]+ 231.185573 176.5
[M+K]+ 252.114908 155.2
[M+H-H2O]+ 196.149010 143.7
[M+HCOO]- 258.149951 170.9
[M+CH3COO]- 272.165601 163.4
[M+Na-2H]- 234.126416 154.3
[M]+ 213.15120142 150.5
[M]- 213.15229858 150.5
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