CID 503256

5-(acetamidomethyl)-4-amino-1-(dimethylcarbamoyl)pyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C11H20N4O4
SMILES
CC(=O)NCC1C(C(CN1C(=O)N(C)C)C(=O)O)N
InChI
InChI=1S/C11H20N4O4/c1-6(16)13-4-8-9(12)7(10(17)18)5-15(8)11(19)14(2)3/h7-9H,4-5,12H2,1-3H3,(H,13,16)(H,17,18)
InChIKey
OLAPDGQXFFMKGV-UHFFFAOYSA-N
Compound name
5-(acetamidomethyl)-4-amino-1-(dimethylcarbamoyl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.14847 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.15575 163.0
[M+Na]+ 295.13769 167.1
[M-H]- 271.14119 164.9
[M+NH4]+ 290.18229 178.5
[M+K]+ 311.11163 167.6
[M+H-H2O]+ 255.14573 155.9
[M+HCOO]- 317.14667 183.2
[M+CH3COO]- 331.16232 206.8
[M+Na-2H]- 293.12314 159.6
[M]+ 272.14792 160.6
[M]- 272.14902 160.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.