CID 117925

1-methyl-4-(5-methyl-3-pyrrolyl)pyridinium iodide

Structural Information

Molecular Formula
C11H13N2
SMILES
CC1=CC(=CN1)C2=CC=[N+](C=C2)C
InChI
InChI=1S/C11H12N2/c1-9-7-11(8-12-9)10-3-5-13(2)6-4-10/h3-8H,1-2H3/p+1
InChIKey
AYGCIDFXJYIORB-UHFFFAOYSA-O
Compound name
1-methyl-4-(5-methyl-1H-pyrrol-3-yl)pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.10788 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11516 135.6
[M+Na]+ 196.09710 152.0
[M+NH4]+ 191.14170 145.6
[M+K]+ 212.07104 147.1
[M-H]- 172.10060 140.5
[M+Na-2H]- 194.08255 145.4
[M]+ 173.10733 139.7
[M]- 173.10843 139.7
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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No literature data available for this compound.

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No patent data available for this compound.