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

10
Patents

187.00516 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.012436 132.9
[M+Na]+ 209.994378 139.4
[M-H]- 185.997884 136.5
[M+NH4]+ 205.038983 152.7
[M+K]+ 225.968318 133.5
[M+H-H2O]+ 170.002420 131.2
[M+HCOO]- 232.003361 155.6
[M+CH3COO]- 246.019011 175.4
[M+Na-2H]- 207.979826 137.3
[M]+ 187.00461142 130.1
[M]- 187.00570858 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