CID 363423

Nsc628334

Structural Information

Molecular Formula

C₃H₆N₂O₄S

SMILES

C1CN(S(=O)(=O)C1)[N+](=O)[O-]

InChI

InChI=1S/C3H6N2O4S/c6-5(7)4-2-1-3-10(4,8)9/h1-3H2

InChIKey

SJFSWZZKIHLRNW-UHFFFAOYSA-N

Compound name

2-nitro-1,2-thiazolidine 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 166.00482 Da
Monoisotopic Mass: -0.2
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]+	167.01210	127.0
[M+Na]+	188.99404	135.5
[M-H]-	164.99754	129.9
[M+NH4]+	184.03864	149.4
[M+K]+	204.96798	131.0
[M+H-H2O]+	149.00208	127.1
[M+HCOO]-	211.00302	146.6
[M+CH3COO]-	225.01867	164.6
[M+Na-2H]-	186.97949	133.3
[M]+	166.00427	125.7
[M]-	166.00537	125.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe