CID 37854

3-methylfuroxan-4-carboxamide

Structural Information

Molecular Formula
C4H5N3O3
SMILES
CC1=NO[N+](=C1C(=O)N)[O-]
InChI
InChI=1S/C4H5N3O3/c1-2-3(4(5)8)7(9)10-6-2/h1H3,(H2,5,8)
InChIKey
YCIQUDDZPRNRMY-UHFFFAOYSA-N
Compound name
4-methyl-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

143.0331 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.040376 124.0
[M+Na]+ 166.022318 133.7
[M-H]- 142.025824 125.0
[M+NH4]+ 161.066923 142.0
[M+K]+ 181.996258 129.2
[M+H-H2O]+ 126.030360 122.6
[M+HCOO]- 188.031301 146.8
[M+CH3COO]- 202.046951 163.7
[M+Na-2H]- 164.007766 132.1
[M]+ 143.03255142 122.3
[M]- 143.03364858 122.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe