CID 62470538

3-(methoxymethyl)-1,2,4-oxadiazol-5-amine

Structural Information

Molecular Formula
C4H7N3O2
SMILES
COCC1=NOC(=N1)N
InChI
InChI=1S/C4H7N3O2/c1-8-2-3-6-4(5)9-7-3/h2H2,1H3,(H2,5,6,7)
InChIKey
JABBATSLQZTQHA-UHFFFAOYSA-N
Compound name
3-(methoxymethyl)-1,2,4-oxadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

129.05383 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.061106 121.8
[M+Na]+ 152.043048 131.3
[M-H]- 128.046554 123.5
[M+NH4]+ 147.087653 141.4
[M+K]+ 168.016988 132.1
[M+H-H2O]+ 112.051090 115.0
[M+HCOO]- 174.052031 146.1
[M+CH3COO]- 188.067681 170.9
[M+Na-2H]- 150.028496 129.7
[M]+ 129.05328142 123.7
[M]- 129.05437858 123.7
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

No patent data available for this compound.