CID 3050862

67117-93-5

Structural Information

Molecular Formula
C12H21N3O3
SMILES
CCC(C(=O)NCC(=O)N)N1C(=O)CCC1(C)C
InChI
InChI=1S/C12H21N3O3/c1-4-8(11(18)14-7-9(13)16)15-10(17)5-6-12(15,2)3/h8H,4-7H2,1-3H3,(H2,13,16)(H,14,18)
InChIKey
CTOBMVQXYRSGGP-UHFFFAOYSA-N
Compound name
N-(2-amino-2-oxoethyl)-2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

255.1583 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.16558 159.1
[M+Na]+ 278.14752 164.0
[M-H]- 254.15102 160.5
[M+NH4]+ 273.19212 177.5
[M+K]+ 294.12146 163.1
[M+H-H2O]+ 238.15556 153.3
[M+HCOO]- 300.15650 178.8
[M+CH3COO]- 314.17215 200.6
[M+Na-2H]- 276.13297 157.9
[M]+ 255.15775 157.2
[M]- 255.15885 157.2
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

patents stripe