CID 492446

(3s,4s)-4-amino-1-[ethyl(isopropyl)carbamoyl]-3-hydroxy-pyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C11H21N3O4
SMILES
CCN(C(C)C)C(=O)N1C[C@@H]([C@@](C1)(C(=O)O)O)N
InChI
InChI=1S/C11H21N3O4/c1-4-14(7(2)3)10(17)13-5-8(12)11(18,6-13)9(15)16/h7-8,18H,4-6,12H2,1-3H3,(H,15,16)/t8-,11-/m0/s1
InChIKey
NLCDXMIKNFZYCH-KWQFWETISA-N
Compound name
(3S,4S)-4-amino-1-[ethyl(propan-2-yl)carbamoyl]-3-hydroxypyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

259.1532 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.16048 159.2
[M+Na]+ 282.14242 163.5
[M-H]- 258.14592 159.6
[M+NH4]+ 277.18702 176.8
[M+K]+ 298.11636 163.9
[M+H-H2O]+ 242.15046 154.0
[M+HCOO]- 304.15140 176.8
[M+CH3COO]- 318.16705 198.8
[M+Na-2H]- 280.12787 157.0
[M]+ 259.15265 156.6
[M]- 259.15375 156.6
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.