CID 3076736

Brn 4297607

Structural Information

Molecular Formula
C12H21N3O4
SMILES
CN(C)CCOC(=O)CNC(=O)CN1CCCC1=O
InChI
InChI=1S/C12H21N3O4/c1-14(2)6-7-19-12(18)8-13-10(16)9-15-5-3-4-11(15)17/h3-9H2,1-2H3,(H,13,16)
InChIKey
UKPDDWSGIGBXNI-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.1532 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.16048 163.3
[M+Na]+ 294.14242 166.6
[M-H]- 270.14592 166.0
[M+NH4]+ 289.18702 179.6
[M+K]+ 310.11636 167.3
[M+H-H2O]+ 254.15046 155.4
[M+HCOO]- 316.15140 185.4
[M+CH3COO]- 330.16705 204.3
[M+Na-2H]- 292.12787 162.9
[M]+ 271.15265 164.9
[M]- 271.15375 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.