CID 9220

5-azaindole

Structural Information

Molecular Formula
C7H6N2
SMILES
C1=CNC2=C1C=NC=C2
InChI
InChI=1S/C7H6N2/c1-4-9-7-2-3-8-5-6(1)7/h1-5,9H
InChIKey
SRSKXJVMVSSSHB-UHFFFAOYSA-N
Compound name
1H-pyrrolo[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

30
References

9678
Patents

118.0531 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.06038 118.6
[M+Na]+ 141.04232 129.0
[M-H]- 117.04582 119.7
[M+NH4]+ 136.08692 140.7
[M+K]+ 157.01626 125.7
[M+H-H2O]+ 101.05036 112.2
[M+HCOO]- 163.05130 141.9
[M+CH3COO]- 177.06695 133.3
[M+Na-2H]- 139.02777 129.1
[M]+ 118.05255 118.0
[M]- 118.05365 118.0
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