CID 44149216

Aminodihydropyrazolone

Structural Information

Molecular Formula
C3H5N3O
SMILES
C1=CN(NC1=O)N
InChI
InChI=1S/C3H5N3O/c4-6-2-1-3(7)5-6/h1-2H,4H2,(H,5,7)
InChIKey
XIHMGRFTGMUSPL-UHFFFAOYSA-N
Compound name
2-amino-1H-pyrazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

99.04326 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.050536 114.3
[M+Na]+ 122.032478 124.1
[M-H]- 98.035984 114.2
[M+NH4]+ 117.077083 135.6
[M+K]+ 138.006418 122.3
[M+H-H2O]+ 82.040520 108.0
[M+HCOO]- 144.041461 138.3
[M+CH3COO]- 158.057111 162.5
[M+Na-2H]- 120.017926 121.4
[M]+ 99.04271142 111.2
[M]- 99.04380858 111.2
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