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

63
Patents

146.04802 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.055296 125.6
[M+Na]+ 169.037238 136.8
[M-H]- 145.040744 126.9
[M+NH4]+ 164.081843 146.7
[M+K]+ 185.011178 133.0
[M+H-H2O]+ 129.045280 119.1
[M+HCOO]- 191.046221 149.0
[M+CH3COO]- 205.061871 140.1
[M+Na-2H]- 167.022686 134.8
[M]+ 146.04747142 126.5
[M]- 146.04856858 126.5
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

patents stripe