CID 7523

2-ethylpyridine

Structural Information

Molecular Formula
C7H9N
SMILES
CCC1=CC=CC=N1
InChI
InChI=1S/C7H9N/c1-2-7-5-3-4-6-8-7/h3-6H,2H2,1H3
InChIKey
NRGGMCIBEHEAIL-UHFFFAOYSA-N
Compound name
2-ethylpyridine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

59
References

25729
Patents

107.0735 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.08078 118.6
[M+Na]+ 130.06272 127.0
[M-H]- 106.06622 121.0
[M+NH4]+ 125.10732 140.4
[M+K]+ 146.03666 125.7
[M+H-H2O]+ 90.070760 112.7
[M+HCOO]- 152.07170 142.6
[M+CH3COO]- 166.08735 168.1
[M+Na-2H]- 128.04817 128.3
[M]+ 107.07295 118.4
[M]- 107.07405 118.4
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