CID 145867180

2361679-35-6

Structural Information

Molecular Formula
C9H9N3O2
SMILES
C1=C2C=C(NC2=NC=C1C(=O)O)CN
InChI
InChI=1S/C9H9N3O2/c10-3-7-2-5-1-6(9(13)14)4-11-8(5)12-7/h1-2,4H,3,10H2,(H,11,12)(H,13,14)
InChIKey
CMZCRRPVVSIQCZ-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.06947 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.07675 138.5
[M+Na]+ 214.05869 149.6
[M+NH4]+ 209.10329 145.1
[M+K]+ 230.03263 147.1
[M-H]- 190.06219 138.2
[M+Na-2H]- 212.04414 142.9
[M]+ 191.06892 139.6
[M]- 191.07002 139.6
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

No patent data available for this compound.