CID 82411075

3-{1h-pyrrolo[2,3-b]pyridin-3-yl}propan-1-amine

Structural Information

Molecular Formula
C10H13N3
SMILES
C1=CC2=C(NC=C2CCCN)N=C1
InChI
InChI=1S/C10H13N3/c11-5-1-3-8-7-13-10-9(8)4-2-6-12-10/h2,4,6-7H,1,3,5,11H2,(H,12,13)
InChIKey
QDQHACFAOCYMGL-UHFFFAOYSA-N
Compound name
3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.11095 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.118226 136.2
[M+Na]+ 198.100168 145.4
[M-H]- 174.103674 136.7
[M+NH4]+ 193.144773 155.8
[M+K]+ 214.074108 140.8
[M+H-H2O]+ 158.108210 129.1
[M+HCOO]- 220.109151 159.0
[M+CH3COO]- 234.124801 149.1
[M+Na-2H]- 196.085616 143.9
[M]+ 175.11040142 135.4
[M]- 175.11149858 135.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.