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
7
Annotation Hits

108
References

73339
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 113.9
[M+Na]+ 116.047064 122.7
[M-H]- 92.050570 116.5
[M+NH4]+ 111.091669 136.3
[M+K]+ 132.021004 121.7
[M+H-H2O]+ 76.055106 108.2
[M+HCOO]- 138.056047 138.3
[M+CH3COO]- 152.071697 165.0
[M+Na-2H]- 114.032512 124.1
[M]+ 93.05729742 113.3
[M]- 93.05839458 113.3
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