CID 12398738

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

Structural Information

Molecular Formula
C8H10N2
SMILES
CC1=C2CCNC2=NC=C1
InChI
InChI=1S/C8H10N2/c1-6-2-4-9-8-7(6)3-5-10-8/h2,4H,3,5H2,1H3,(H,9,10)
InChIKey
JAYGFQIWHJRWIA-UHFFFAOYSA-N
Compound name
4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

134.0844 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.09168 126.6
[M+Na]+ 157.07362 135.5
[M-H]- 133.07712 127.2
[M+NH4]+ 152.11822 148.2
[M+K]+ 173.04756 132.3
[M+H-H2O]+ 117.08166 120.1
[M+HCOO]- 179.08260 146.7
[M+CH3COO]- 193.09825 140.0
[M+Na-2H]- 155.05907 133.7
[M]+ 134.08385 123.8
[M]- 134.08495 123.8
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