CID 59424476

7-chloro-1-methyl-1h-pyrrolo[2,3-c]pyridine

Structural Information

Molecular Formula
C8H7ClN2
SMILES
CN1C=CC2=C1C(=NC=C2)Cl
InChI
InChI=1S/C8H7ClN2/c1-11-5-3-6-2-4-10-8(9)7(6)11/h2-5H,1H3
InChIKey
LUKGSNKDUABBRT-UHFFFAOYSA-N
Compound name
7-chloro-1-methylpyrrolo[2,3-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

166.02977 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.03705 128.8
[M+Na]+ 189.01899 145.0
[M+NH4]+ 184.06359 138.9
[M+K]+ 204.99293 138.7
[M-H]- 165.02249 131.1
[M+Na-2H]- 187.00444 137.1
[M]+ 166.02922 132.2
[M]- 166.03032 132.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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