CID 274561

4,5-dihydro-1h-imidazole-2-sulfonic acid

Structural Information

Molecular Formula

C₃H₆N₂O₃S

SMILES

C1CN=C(N1)S(=O)(=O)O

InChI

InChI=1S/C3H6N2O3S/c6-9(7,8)3-4-1-2-5-3/h1-2H2,(H,4,5)(H,6,7,8)

InChIKey

JTRHTNVGGLWMFV-UHFFFAOYSA-N

Compound name

4,5-dihydro-1H-imidazole-2-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 320
Patents: 150.00992 Da
Monoisotopic Mass: -1.6
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]+	151.01720	129.1
[M+Na]+	172.99914	137.4
[M+NH4]+	168.04374	135.2
[M+K]+	188.97308	134.7
[M-H]-	149.00264	126.3
[M+Na-2H]-	170.98459	131.4
[M]+	150.00937	129.5
[M]-	150.01047	129.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe