CID 575408

4-methoxy-1,2,5-oxadiazol-3-amine

Structural Information

Molecular Formula
C3H5N3O2
SMILES
COC1=NON=C1N
InChI
InChI=1S/C3H5N3O2/c1-7-3-2(4)5-8-6-3/h1H3,(H2,4,5)
InChIKey
BZXHBVIPEFVWOR-UHFFFAOYSA-N
Compound name
4-methoxy-1,2,5-oxadiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

115.03818 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.045456 117.2
[M+Na]+ 138.027398 127.1
[M-H]- 114.030904 119.0
[M+NH4]+ 133.072003 137.3
[M+K]+ 154.001338 128.2
[M+H-H2O]+ 98.035440 110.5
[M+HCOO]- 160.036381 141.7
[M+CH3COO]- 174.052031 167.9
[M+Na-2H]- 136.012846 125.6
[M]+ 115.03763142 118.7
[M]- 115.03872858 118.7
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