CID 431

72344-33-3

Structural Information

Molecular Formula
C10H13N2
SMILES
C[N+]1=CCCC1C2=CN=CC=C2
InChI
InChI=1S/C10H13N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6-8,10H,3,5H2,1H3/q+1
InChIKey
GTQXYYYOJZZJHL-UHFFFAOYSA-N
Compound name
3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

42
Patents

161.10788 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.11516 134.8
[M+Na]+ 184.09710 143.0
[M-H]- 160.10060 139.2
[M+NH4]+ 179.14170 154.4
[M+K]+ 200.07104 135.0
[M+H-H2O]+ 144.10514 129.7
[M+HCOO]- 206.10608 157.0
[M+CH3COO]- 220.12173 170.4
[M+Na-2H]- 182.08255 143.0
[M]+ 161.10733 132.0
[M]- 161.10843 132.0
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.