CID 9568810

Brn 5390466

Structural Information

Molecular Formula
C8H10N4O4S
SMILES
C1CO/C(=N/C2=NC=C(S2)[N+](=O)[O-])/N1CCO
InChI
InChI=1S/C8H10N4O4S/c13-3-1-11-2-4-16-8(11)10-7-9-5-6(17-7)12(14)15/h5,13H,1-4H2/b10-8+
InChIKey
KOPIRKLPVHIQML-CSKARUKUSA-N
Compound name
2-[(2E)-2-[(5-nitro-1,3-thiazol-2-yl)imino]-1,3-oxazolidin-3-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.04227 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.04955 153.3
[M+Na]+ 281.03149 159.7
[M-H]- 257.03499 158.8
[M+NH4]+ 276.07609 168.8
[M+K]+ 297.00543 154.8
[M+H-H2O]+ 241.03953 150.6
[M+HCOO]- 303.04047 172.4
[M+CH3COO]- 317.05612 185.2
[M+Na-2H]- 279.01694 156.9
[M]+ 258.04172 152.8
[M]- 258.04282 152.8
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.