CID 79823366

5-amino-1-(pyrimidin-4-yl)-1h-pyrazol-3-ol

Structural Information

Molecular Formula
C7H7N5O
SMILES
C1=CN=CN=C1N2C(=CC(=O)N2)N
InChI
InChI=1S/C7H7N5O/c8-5-3-7(13)11-12(5)6-1-2-9-4-10-6/h1-4H,8H2,(H,11,13)
InChIKey
FBFGCDBILQWPKA-UHFFFAOYSA-N
Compound name
3-amino-2-pyrimidin-4-yl-1H-pyrazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.06506 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.072336 135.0
[M+Na]+ 200.054278 145.5
[M-H]- 176.057784 135.8
[M+NH4]+ 195.098883 150.3
[M+K]+ 216.028218 141.3
[M+H-H2O]+ 160.062320 126.1
[M+HCOO]- 222.063261 156.5
[M+CH3COO]- 236.078911 147.6
[M+Na-2H]- 198.039726 141.6
[M]+ 177.06451142 132.4
[M]- 177.06560858 132.4
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.