CID 21846784

1-methyl-1h,4h,5h,6h,7h-pyrrolo[2,3-c]pyridine hydrochloride

Structural Information

Molecular Formula
C8H12N2
SMILES
CN1C=CC2=C1CNCC2
InChI
InChI=1S/C8H12N2/c1-10-5-3-7-2-4-9-6-8(7)10/h3,5,9H,2,4,6H2,1H3
InChIKey
ZUAUMVVHFYDLGK-UHFFFAOYSA-N
Compound name
1-methyl-4,5,6,7-tetrahydropyrrolo[2,3-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

136.10005 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.10733 128.6
[M+Na]+ 159.08927 136.4
[M-H]- 135.09277 128.8
[M+NH4]+ 154.13387 150.0
[M+K]+ 175.06321 133.5
[M+H-H2O]+ 119.09731 122.0
[M+HCOO]- 181.09825 147.2
[M+CH3COO]- 195.11390 141.4
[M+Na-2H]- 157.07472 134.6
[M]+ 136.09950 124.4
[M]- 136.10060 124.4
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