CID 537677

3,4-diaminofurazan

Structural Information

Molecular Formula
C2H4N4O
SMILES
C1(=NON=C1N)N
InChI
InChI=1S/C2H4N4O/c3-1-2(4)6-7-5-1/h(H2,3,5)(H2,4,6)
InChIKey
JHJVSUCUNFXIHN-UHFFFAOYSA-N
Compound name
1,2,5-oxadiazole-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

327
Patents

100.03851 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.04579 114.2
[M+Na]+ 123.02773 123.7
[M-H]- 99.031234 115.7
[M+NH4]+ 118.07233 134.2
[M+K]+ 139.00167 124.0
[M+H-H2O]+ 83.035770 107.2
[M+HCOO]- 145.03671 139.2
[M+CH3COO]- 159.05236 167.2
[M+Na-2H]- 121.01318 122.3
[M]+ 100.03796 112.1
[M]- 100.03906 112.1
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