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]+ 172.15701 137.2
[M+Na]+ 194.13895 142.6
[M-H]- 170.14245 140.6
[M+NH4]+ 189.18355 160.1
[M+K]+ 210.11289 137.7
[M+H-H2O]+ 154.14699 134.2
[M+HCOO]- 216.14793 158.8
[M+CH3COO]- 230.16358 177.1
[M+Na-2H]- 192.12440 143.1
[M]+ 171.14918 134.4
[M]- 171.15028 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.