CID 198483

64693-50-1

Structural Information

Molecular Formula

C₅H₈N₂O₄

SMILES

C1C[C@@H](N(C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C5H8N2O4/c8-5(9)4-2-1-3-6(4)7(10)11/h4H,1-3H2,(H,8,9)/t4-/m1/s1

InChIKey

CSDIOFGVLSDOSG-SCSAIBSYSA-N

Compound name

(2R)-1-nitropyrrolidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 22
Patents: 160.0484 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	161.05568	129.9
[M+Na]+	183.03762	138.6
[M+NH4]+	178.08222	136.3
[M+K]+	199.01156	140.2
[M-H]-	159.04112	129.6
[M+Na-2H]-	181.02307	132.0
[M]+	160.04785	130.4
[M]-	160.04895	130.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.