CID 583

89932-52-5

Structural Information

Molecular Formula
C11H15N2O
SMILES
CN1C(CCC1=O)C2=C[N+](=CC=C2)C
InChI
InChI=1S/C11H15N2O/c1-12-7-3-4-9(8-12)10-5-6-11(14)13(10)2/h3-4,7-8,10H,5-6H2,1-2H3/q+1
InChIKey
VHRXFWHPQMABEK-UHFFFAOYSA-N
Compound name
1-methyl-5-(1-methylpyridin-1-ium-3-yl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

8
Patents

191.11844 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.125716 142.8
[M+Na]+ 214.107658 151.6
[M-H]- 190.111164 147.5
[M+NH4]+ 209.152263 161.6
[M+K]+ 230.081598 143.4
[M+H-H2O]+ 174.115700 138.0
[M+HCOO]- 236.116641 163.6
[M+CH3COO]- 250.132291 176.8
[M+Na-2H]- 212.093106 148.2
[M]+ 191.11789142 140.4
[M]- 191.11898858 140.4
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