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]+ 162.10257 131.3
[M+Na]+ 184.08451 140.9
[M-H]- 160.08801 132.4
[M+NH4]+ 179.12911 151.7
[M+K]+ 200.05845 136.9
[M+H-H2O]+ 144.09255 124.3
[M+HCOO]- 206.09349 155.0
[M+CH3COO]- 220.10914 144.9
[M+Na-2H]- 182.06996 140.5
[M]+ 161.09474 131.1
[M]- 161.09584 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