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]+ 192.12572 142.8
[M+Na]+ 214.10766 151.6
[M-H]- 190.11116 147.5
[M+NH4]+ 209.15226 161.6
[M+K]+ 230.08160 143.4
[M+H-H2O]+ 174.11570 138.0
[M+HCOO]- 236.11664 163.6
[M+CH3COO]- 250.13229 176.8
[M+Na-2H]- 212.09311 148.2
[M]+ 191.11789 140.4
[M]- 191.11899 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.