CID 122149795

Methyl 2-[(2-nitrothiophen-3-yl)amino]acetate

Structural Information

Molecular Formula
C7H8N2O4S
SMILES
COC(=O)CNC1=C(SC=C1)[N+](=O)[O-]
InChI
InChI=1S/C7H8N2O4S/c1-13-6(10)4-8-5-2-3-14-7(5)9(11)12/h2-3,8H,4H2,1H3
InChIKey
OVRVXEXNNDOHJT-UHFFFAOYSA-N
Compound name
methyl 2-[(2-nitrothiophen-3-yl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.02048 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.02776 142.5
[M+Na]+ 239.00970 151.3
[M+NH4]+ 234.05430 149.5
[M+K]+ 254.98364 149.9
[M-H]- 215.01320 144.2
[M+Na-2H]- 236.99515 145.9
[M]+ 216.01993 144.1
[M]- 216.02103 144.1
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.