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

494
Patents

150.00992 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.01720 128.2
[M+Na]+ 172.99914 137.3
[M-H]- 149.00264 127.1
[M+NH4]+ 168.04374 147.6
[M+K]+ 188.97308 135.2
[M+H-H2O]+ 133.00718 123.0
[M+HCOO]- 195.00812 142.7
[M+CH3COO]- 209.02377 161.8
[M+Na-2H]- 170.98459 132.2
[M]+ 150.00937 127.0
[M]- 150.01047 127.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe