CID 155970222

4-propyl-1h-pyrrolo[2,3-b]pyridin-5-amine

Structural Information

Molecular Formula
C10H13N3
SMILES
CCCC1=C2C=CNC2=NC=C1N
InChI
InChI=1S/C10H13N3/c1-2-3-7-8-4-5-12-10(8)13-6-9(7)11/h4-6H,2-3,11H2,1H3,(H,12,13)
InChIKey
HTLLBVGHDSGHFS-UHFFFAOYSA-N
Compound name
4-propyl-1H-pyrrolo[2,3-b]pyridin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.11095 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.118226 136.8
[M+Na]+ 198.100168 147.0
[M-H]- 174.103674 137.7
[M+NH4]+ 193.144773 156.7
[M+K]+ 214.074108 142.4
[M+H-H2O]+ 158.108210 130.0
[M+HCOO]- 220.109151 159.6
[M+CH3COO]- 234.124801 150.1
[M+Na-2H]- 196.085616 143.7
[M]+ 175.11040142 136.4
[M]- 175.11149858 136.4
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

No patent data available for this compound.