CID 503264

2-pyrrolidinecarboxylate, 5-[1-(acetylamino)-3-methylbutyl]-4-amino-

Structural Information

Molecular Formula
C12H23N3O3
SMILES
CC(C)CC(C1C(CC(N1)C(=O)O)N)NC(=O)C
InChI
InChI=1S/C12H23N3O3/c1-6(2)4-9(14-7(3)16)11-8(13)5-10(15-11)12(17)18/h6,8-11,15H,4-5,13H2,1-3H3,(H,14,16)(H,17,18)
InChIKey
OLFYZBCXUWRTSE-UHFFFAOYSA-N
Compound name
5-(1-acetamido-3-methylbutyl)-4-aminopyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

257.17395 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.18123 163.9
[M+Na]+ 280.16317 166.4
[M-H]- 256.16667 162.4
[M+NH4]+ 275.20777 178.7
[M+K]+ 296.13711 164.9
[M+H-H2O]+ 240.17121 157.2
[M+HCOO]- 302.17215 179.3
[M+CH3COO]- 316.18780 198.4
[M+Na-2H]- 278.14862 158.9
[M]+ 257.17340 157.9
[M]- 257.17450 157.9
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.