CID 177800126

2168441-30-1

Structural Information

Molecular Formula

C₇H₈N₂O₄S

SMILES

C1CC1C2=CC(=NS(=O)(=O)N2)C(=O)O

InChI

InChI=1S/C7H8N2O4S/c10-7(11)6-3-5(4-1-2-4)8-14(12,13)9-6/h3-4,8H,1-2H2,(H,10,11)

InChIKey

ZANZCPPTZDKMEO-UHFFFAOYSA-N

Compound name

3-cyclopropyl-1,1-dioxo-2H-1,2,6-thiadiazine-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 216.02048 Da
Monoisotopic Mass: -0.5
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]+	217.027756	145.0
[M+Na]+	239.009698	155.6
[M-H]-	215.013204	147.7
[M+NH4]+	234.054303	157.0
[M+K]+	254.983638	151.3
[M+H-H2O]+	199.017740	139.3
[M+HCOO]-	261.018681	158.5
[M+CH3COO]-	275.034331	180.5
[M+Na-2H]-	236.995146	148.2
[M]+	216.01993142	147.6
[M]-	216.02102858	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.