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

29
Patents

99.04326 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.050536 114.3
[M+Na]+ 122.032478 123.4
[M-H]- 98.035984 117.1
[M+NH4]+ 117.077083 135.8
[M+K]+ 138.006418 123.6
[M+H-H2O]+ 82.040520 108.2
[M+HCOO]- 144.041461 140.3
[M+CH3COO]- 158.057111 167.3
[M+Na-2H]- 120.017926 122.1
[M]+ 99.04271142 112.1
[M]- 99.04380858 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