CID 12842107

1,2-oxazole-3,5-diamine hydrochloride

Structural Information

Molecular Formula
C3H5N3O
SMILES
C1=C(ON=C1N)N
InChI
InChI=1S/C3H5N3O/c4-2-1-3(5)7-6-2/h1H,5H2,(H2,4,6)
InChIKey
IBIBVXBQQRMTRC-UHFFFAOYSA-N
Compound name
1,2-oxazole-3,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

99.04326 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.05054 114.3
[M+Na]+ 122.03248 123.4
[M-H]- 98.035984 117.1
[M+NH4]+ 117.07708 135.8
[M+K]+ 138.00642 123.6
[M+H-H2O]+ 82.040520 108.2
[M+HCOO]- 144.04146 140.3
[M+CH3COO]- 158.05711 167.3
[M+Na-2H]- 120.01793 122.1
[M]+ 99.042711 112.1
[M]- 99.043809 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

No literature data available for this compound.

Patent stripe

patents stripe