CID 140376

N-methylpyridin-3-amine

Structural Information

Molecular Formula
C6H8N2
SMILES
CNC1=CN=CC=C1
InChI
InChI=1S/C6H8N2/c1-7-6-3-2-4-8-5-6/h2-5,7H,1H3
InChIKey
DBGFNLVRAFYZBI-UHFFFAOYSA-N
Compound name
N-methylpyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2532
Patents

108.06875 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.076026 118.3
[M+Na]+ 131.057968 126.2
[M-H]- 107.061474 120.8
[M+NH4]+ 126.102573 139.7
[M+K]+ 147.031908 125.0
[M+H-H2O]+ 91.066010 112.1
[M+HCOO]- 153.066951 143.7
[M+CH3COO]- 167.082601 169.7
[M+Na-2H]- 129.043416 128.7
[M]+ 108.06820142 116.9
[M]- 108.06929858 116.9
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