CID 21300572

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

Structural Information

Molecular Formula
C8H8N2
SMILES
CC1=CC2=C(C=CN2)N=C1
InChI
InChI=1S/C8H8N2/c1-6-4-8-7(10-5-6)2-3-9-8/h2-5,9H,1H3
InChIKey
JMFRWFPPCICJCQ-UHFFFAOYSA-N
Compound name
6-methyl-1H-pyrrolo[3,2-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

187
Patents

132.06874 Da
Monoisotopic Mass

1.4
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

No literature data available for this compound.

Patent stripe

patents stripe