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]+ 176.11823 136.2
[M+Na]+ 198.10017 145.4
[M-H]- 174.10367 136.7
[M+NH4]+ 193.14477 155.8
[M+K]+ 214.07411 140.8
[M+H-H2O]+ 158.10821 129.1
[M+HCOO]- 220.10915 159.0
[M+CH3COO]- 234.12480 149.1
[M+Na-2H]- 196.08562 143.9
[M]+ 175.11040 135.4
[M]- 175.11150 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.