CID 58965043

2172073-86-6

Structural Information

Molecular Formula
C9H11N3
SMILES
CNCC1=C2C=CNC2=NC=C1
InChI
InChI=1S/C9H11N3/c1-10-6-7-2-4-11-9-8(7)3-5-12-9/h2-5,10H,6H2,1H3,(H,11,12)
InChIKey
MDYGMJVFLGXWGM-UHFFFAOYSA-N
Compound name
N-methyl-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

161.09529 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.102566 131.3
[M+Na]+ 184.084508 140.9
[M-H]- 160.088014 132.4
[M+NH4]+ 179.129113 151.7
[M+K]+ 200.058448 136.9
[M+H-H2O]+ 144.092550 124.3
[M+HCOO]- 206.093491 155.0
[M+CH3COO]- 220.109141 144.9
[M+Na-2H]- 182.069956 140.5
[M]+ 161.09474142 131.1
[M]- 161.09583858 131.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe