CID 71350851

N'-hydroxy-3-nitrothiophene-2-carboximidamide

Structural Information

Molecular Formula
C5H5N3O3S
SMILES
C1=CSC(=C1[N+](=O)[O-])C(=NO)N
InChI
InChI=1S/C5H5N3O3S/c6-5(7-9)4-3(8(10)11)1-2-12-4/h1-2,9H,(H2,6,7)
InChIKey
GAKLTPUFNKNAIM-UHFFFAOYSA-N
Compound name
N'-hydroxy-3-nitrothiophene-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

187.00516 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.01244 132.9
[M+Na]+ 209.99438 139.4
[M-H]- 185.99788 136.5
[M+NH4]+ 205.03898 152.7
[M+K]+ 225.96832 133.5
[M+H-H2O]+ 170.00242 131.2
[M+HCOO]- 232.00336 155.6
[M+CH3COO]- 246.01901 175.4
[M+Na-2H]- 207.97983 137.3
[M]+ 187.00461 130.1
[M]- 187.00571 130.1
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

patents stripe