CID 211004

1-((dimethylcarbamoyl)methyl)-1-methylpyrrolidinium iodide

Structural Information

Molecular Formula
C9H19N2O
SMILES
CN(C)C(=O)C[N+]1(CCCC1)C
InChI
InChI=1S/C9H19N2O/c1-10(2)9(12)8-11(3)6-4-5-7-11/h4-8H2,1-3H3/q+1
InChIKey
SKYAWXIUOQAGLH-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(1-methylpyrrolidin-1-ium-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.14973 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.157006 137.2
[M+Na]+ 194.138948 142.6
[M-H]- 170.142454 140.6
[M+NH4]+ 189.183553 160.1
[M+K]+ 210.112888 137.7
[M+H-H2O]+ 154.146990 134.2
[M+HCOO]- 216.147931 158.8
[M+CH3COO]- 230.163581 177.1
[M+Na-2H]- 192.124396 143.1
[M]+ 171.14918142 134.4
[M]- 171.15027858 134.4
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.