CID 117925

27079-80-7

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

1
Patents

173.10788 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.115156 138.0
[M+Na]+ 196.097098 147.3
[M-H]- 172.100604 141.7
[M+NH4]+ 191.141703 156.8
[M+K]+ 212.071038 137.8
[M+H-H2O]+ 156.105140 133.4
[M+HCOO]- 218.106081 159.8
[M+CH3COO]- 232.121731 171.4
[M+Na-2H]- 194.082546 145.6
[M]+ 173.10733142 135.6
[M]- 173.10842858 135.6
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

No patent data available for this compound.