CID 71303392

4-methyl-5h,6h,7h-pyrrolo[3,4-b]pyridine dihydrochloride

Structural Information

Molecular Formula
C8H10N2
SMILES
CC1=C2CNCC2=NC=C1
InChI
InChI=1S/C8H10N2/c1-6-2-3-10-8-5-9-4-7(6)8/h2-3,9H,4-5H2,1H3
InChIKey
VXYATYWXMHRMFP-UHFFFAOYSA-N
Compound name
4-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

134.0844 Da
Monoisotopic Mass

0.2
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

No literature data available for this compound.

Patent stripe

patents stripe