CID 135423452

4-amino-n-hydroxy-1,2,5-oxadiazole-3-carboximidamide

Structural Information

Molecular Formula
C3H5N5O2
SMILES
C1(=NON=C1N)/C(=N\O)/N
InChI
InChI=1S/C3H5N5O2/c4-2(6-9)1-3(5)8-10-7-1/h9H,(H2,4,6)(H2,5,8)
InChIKey
DNFUTAVRGAVUKE-UHFFFAOYSA-N
Compound name
4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

143.04433 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.05161 125.1
[M+Na]+ 166.03355 133.2
[M-H]- 142.03705 126.7
[M+NH4]+ 161.07815 142.8
[M+K]+ 182.00749 133.6
[M+H-H2O]+ 126.04159 117.3
[M+HCOO]- 188.04253 150.2
[M+CH3COO]- 202.05818 177.1
[M+Na-2H]- 164.01900 131.9
[M]+ 143.04378 122.6
[M]- 143.04488 122.6
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