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

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 138.0
[M+Na]+ 196.09710 147.3
[M-H]- 172.10060 141.7
[M+NH4]+ 191.14170 156.8
[M+K]+ 212.07104 137.8
[M+H-H2O]+ 156.10514 133.4
[M+HCOO]- 218.10608 159.8
[M+CH3COO]- 232.12173 171.4
[M+Na-2H]- 194.08255 145.6
[M]+ 173.10733 135.6
[M]- 173.10843 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.