CID 68254

3-ethyl-4-methylpyridine

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1502
Patents

121.08915 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.096426 122.8
[M+Na]+ 144.078368 131.7
[M-H]- 120.081874 125.4
[M+NH4]+ 139.122973 144.3
[M+K]+ 160.052308 130.1
[M+H-H2O]+ 104.086410 116.9
[M+HCOO]- 166.087351 146.4
[M+CH3COO]- 180.103001 172.2
[M+Na-2H]- 142.063816 131.1
[M]+ 121.08860142 123.3
[M]- 121.08969858 123.3
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