CID 66832062

1258504-40-3

Structural Information

Molecular Formula
C9H10ClN3
SMILES
C1=C(C=NC2=C1C(=CN2)CCN)Cl
InChI
InChI=1S/C9H10ClN3/c10-7-3-8-6(1-2-11)4-12-9(8)13-5-7/h3-5H,1-2,11H2,(H,12,13)
InChIKey
SIWBAYOSUZHKQX-UHFFFAOYSA-N
Compound name
2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

195.05632 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06360 137.8
[M+Na]+ 218.04554 151.6
[M+NH4]+ 213.09014 146.6
[M+K]+ 234.01948 146.1
[M-H]- 194.04904 139.5
[M+Na-2H]- 216.03099 144.4
[M]+ 195.05577 140.4
[M]- 195.05687 140.4
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