CID 7970

3-methylpyridine

Structural Information

Molecular Formula
C6H7N
SMILES
CC1=CN=CC=C1
InChI
InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3
InChIKey
ITQTTZVARXURQS-UHFFFAOYSA-N
Compound name
3-methylpyridine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

108
References

42250
Patents

93.057846 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 94.065122 114.9
[M+Na]+ 116.04706 129.4
[M+NH4]+ 111.09167 124.9
[M+K]+ 132.02100 122.2
[M-H]- 92.050570 117.7
[M+Na-2H]- 114.03251 124.2
[M]+ 93.057297 117.9
[M]- 93.058395 117.9
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