CID 22281739

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

Structural Information

Molecular Formula
C8H6N2O
SMILES
C1=CC2=C(C=C(N2)C=O)N=C1
InChI
InChI=1S/C8H6N2O/c11-5-6-4-8-7(10-6)2-1-3-9-8/h1-5,10H
InChIKey
DQSXESUAVDEVJI-UHFFFAOYSA-N
Compound name
1H-pyrrolo[3,2-b]pyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

146.04802 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.05530 126.6
[M+Na]+ 169.03724 140.6
[M+NH4]+ 164.08184 135.2
[M+K]+ 185.01118 135.8
[M-H]- 145.04074 127.5
[M+Na-2H]- 167.02269 133.8
[M]+ 146.04747 128.8
[M]- 146.04857 128.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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