CID 18754117

860496-20-4

Structural Information

Molecular Formula
C8H6N2O2
SMILES
C1=CC2=C(C(=CN2)C(=O)O)N=C1
InChI
InChI=1S/C8H6N2O2/c11-8(12)5-4-10-6-2-1-3-9-7(5)6/h1-4,10H,(H,11,12)
InChIKey
VAQUJLYRUQNSEV-UHFFFAOYSA-N
Compound name
1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

162.04292 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.05020 130.4
[M+Na]+ 185.03214 143.0
[M+NH4]+ 180.07674 137.9
[M+K]+ 201.00608 139.8
[M-H]- 161.03564 130.1
[M+Na-2H]- 183.01759 136.2
[M]+ 162.04237 131.9
[M]- 162.04347 131.9
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