CID 142767

4-hydroxy-n-nitrosoproline

Structural Information

Molecular Formula

C₅H₈N₂O₄

SMILES

C1[C@H](N(CC1O)N=O)C(=O)O

InChI

InChI=1S/C5H8N2O4/c8-3-1-4(5(9)10)7(2-3)6-11/h3-4,8H,1-2H2,(H,9,10)/t3?,4-/m0/s1

InChIKey

ABVBOWJCKJGCJM-BKLSDQPFSA-N

Compound name

(2S)-4-hydroxy-1-nitrosopyrrolidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 6
References: 3
Patents: 160.0484 Da
Monoisotopic Mass: -0.7
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	128.8
[M+Na]+	183.03762	136.2
[M-H]-	159.04112	130.0
[M+NH4]+	178.08222	148.9
[M+K]+	199.01156	136.2
[M+H-H2O]+	143.04566	123.0
[M+HCOO]-	205.04660	150.8
[M+CH3COO]-	219.06225	174.7
[M+Na-2H]-	181.02307	132.2
[M]+	160.04785	127.3
[M]-	160.04895	127.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.