CID 11629612

5-methyl-1h-pyrrolo[3,2-b]pyridine

Structural Information

Molecular Formula
C8H8N2
SMILES
CC1=NC2=C(C=C1)NC=C2
InChI
InChI=1S/C8H8N2/c1-6-2-3-7-8(10-6)4-5-9-7/h2-5,9H,1H3
InChIKey
WGRRBPXKOSKCJO-UHFFFAOYSA-N
Compound name
5-methyl-1H-pyrrolo[3,2-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

214
Patents

132.06874 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.07602 123.3
[M+Na]+ 155.05796 134.3
[M-H]- 131.06146 124.7
[M+NH4]+ 150.10256 145.3
[M+K]+ 171.03190 130.7
[M+H-H2O]+ 115.06600 117.0
[M+HCOO]- 177.06694 146.4
[M+CH3COO]- 191.08259 138.0
[M+Na-2H]- 153.04341 132.6
[M]+ 132.06819 123.5
[M]- 132.06929 123.5
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