CID 3035701

Refchem:180706

Structural Information

Molecular Formula

C₄H₈N₂O₃S

SMILES

C(CS)[C@@H](C(=O)ON=O)N

InChI

InChI=1S/C4H8N2O3S/c5-3(1-2-10)4(7)9-6-8/h3,10H,1-2,5H2/t3-/m0/s1

InChIKey

MSECJJDPRYTQLG-VKHMYHEASA-N

Compound name

nitroso (2S)-2-amino-4-sulfanylbutanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 19
References: 2
Patents: 164.02556 Da
Monoisotopic Mass: -0.4
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]+	165.03284	131.7
[M+Na]+	187.01478	138.1
[M-H]-	163.01828	133.1
[M+NH4]+	182.05938	152.3
[M+K]+	202.98872	138.6
[M+H-H2O]+	147.02282	125.6
[M+HCOO]-	209.02376	152.3
[M+CH3COO]-	223.03941	181.8
[M+Na-2H]-	185.00023	134.0
[M]+	164.02501	134.9
[M]-	164.02611	134.9

Literature stripe

literature stripe

Patent stripe

patents stripe