CID 3076738

Ethanaminium, n,n,n-trimethyl-2-(((((2-oxo-1-pyrrolidinyl)acetyl)amino)acetyl)oxy)-, iodide

Structural Information

Molecular Formula
C13H24N3O4
SMILES
C[N+](C)(C)CCOC(=O)CNC(=O)CN1CCCC1=O
InChI
InChI=1S/C13H23N3O4/c1-16(2,3)7-8-20-13(19)9-14-11(17)10-15-6-4-5-12(15)18/h4-10H2,1-3H3/p+1
InChIKey
IGTRMTHWKOLYQY-UHFFFAOYSA-O
Compound name
trimethyl-[2-[2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetyl]oxyethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.17667 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.18395 164.7
[M+Na]+ 309.16589 168.2
[M-H]- 285.16939 167.7
[M+NH4]+ 304.21049 180.6
[M+K]+ 325.13983 162.7
[M+H-H2O]+ 269.17393 160.4
[M+HCOO]- 331.17487 185.5
[M+CH3COO]- 345.19052 199.1
[M+Na-2H]- 307.15134 169.1
[M]+ 286.17612 164.9
[M]- 286.17722 164.9
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.