CID 18771136

2,3-dihydro-1h-pyrrolo[3,2-b]pyridine

Structural Information

Molecular Formula
C7H8N2
SMILES
C1CNC2=C1N=CC=C2
InChI
InChI=1S/C7H8N2/c1-2-6-7(8-4-1)3-5-9-6/h1-2,4,9H,3,5H2
InChIKey
JKWQHCSGMTWRIQ-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-pyrrolo[3,2-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1264
Patents

120.06875 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.07603 122.5
[M+Na]+ 143.05797 135.0
[M+NH4]+ 138.10257 132.1
[M+K]+ 159.03191 130.1
[M-H]- 119.06147 123.8
[M+Na-2H]- 141.04342 129.0
[M]+ 120.06820 124.5
[M]- 120.06930 124.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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