CID 46856478

(1h-pyrrolo[3,2-b]pyridin-2-yl)methanamine

Structural Information

Molecular Formula
C8H9N3
SMILES
C1=CC2=C(C=C(N2)CN)N=C1
InChI
InChI=1S/C8H9N3/c9-5-6-4-8-7(11-6)2-1-3-10-8/h1-4,11H,5,9H2
InChIKey
MOXYTDCSLMGIAY-UHFFFAOYSA-N
Compound name
1H-pyrrolo[3,2-b]pyridin-2-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

147.07965 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.08693 127.1
[M+Na]+ 170.06887 137.2
[M-H]- 146.07237 127.9
[M+NH4]+ 165.11347 147.7
[M+K]+ 186.04281 133.1
[M+H-H2O]+ 130.07691 120.4
[M+HCOO]- 192.07785 150.5
[M+CH3COO]- 206.09350 140.9
[M+Na-2H]- 168.05432 135.8
[M]+ 147.07910 125.6
[M]- 147.08020 125.6
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

patents stripe