CID 88393

3-(methylaminomethyl)pyridine

Structural Information

Molecular Formula
C7H10N2
SMILES
CNCC1=CN=CC=C1
InChI
InChI=1S/C7H10N2/c1-8-5-7-3-2-4-9-6-7/h2-4,6,8H,5H2,1H3
InChIKey
MCSAQVGDZLPTBS-UHFFFAOYSA-N
Compound name
N-methyl-1-pyridin-3-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2062
Patents

122.0844 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.09168 123.0
[M+Na]+ 145.07362 130.4
[M-H]- 121.07712 125.3
[M+NH4]+ 140.11822 143.7
[M+K]+ 161.04756 128.9
[M+H-H2O]+ 105.08166 116.5
[M+HCOO]- 167.08260 148.0
[M+CH3COO]- 181.09825 172.7
[M+Na-2H]- 143.05907 132.8
[M]+ 122.08385 121.9
[M]- 122.08495 121.9
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