CID 34088

4-ethyl-3-methylpyridine

Structural Information

Molecular Formula
C8H11N
SMILES
CCC1=C(C=NC=C1)C
InChI
InChI=1S/C8H11N/c1-3-8-4-5-9-6-7(8)2/h4-6H,3H2,1-2H3
InChIKey
NJQZTGGQYUUYKS-UHFFFAOYSA-N
Compound name
4-ethyl-3-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

256
Patents

121.08915 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.09643 123.6
[M+Na]+ 144.07837 138.0
[M+NH4]+ 139.12297 133.3
[M+K]+ 160.05231 130.6
[M-H]- 120.08187 126.4
[M+Na-2H]- 142.06382 132.2
[M]+ 121.08860 126.5
[M]- 121.08970 126.5
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

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