CID 302469

13338-45-9

Structural Information

Molecular Formula
C4H8N2O3S2
SMILES
C1CN=C(N1)CSS(=O)(=O)O
InChI
InChI=1S/C4H8N2O3S2/c7-11(8,9)10-3-4-5-1-2-6-4/h1-3H2,(H,5,6)(H,7,8,9)
InChIKey
MYTKJAFVLNKAOQ-UHFFFAOYSA-N
Compound name
2-(sulfosulfanylmethyl)-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.99763 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.00491 139.0
[M+Na]+ 218.98685 147.7
[M-H]- 194.99035 137.4
[M+NH4]+ 214.03145 156.7
[M+K]+ 234.96079 143.8
[M+H-H2O]+ 178.99489 133.9
[M+HCOO]- 240.99583 147.7
[M+CH3COO]- 255.01148 170.7
[M+Na-2H]- 216.97230 140.3
[M]+ 195.99708 139.1
[M]- 195.99818 139.1
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

No patent data available for this compound.