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

11
References

50
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

literature stripe

Patent stripe

patents stripe