CID 21791118

5-amino-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C4H5N3O
SMILES
C1=NNC(=C1C=O)N
InChI
InChI=1S/C4H5N3O/c5-4-3(2-8)1-6-7-4/h1-2H,(H3,5,6,7)
InChIKey
CWNBIZNFVWOUFW-UHFFFAOYSA-N
Compound name
5-amino-1H-pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

111.04326 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.05054 119.1
[M+Na]+ 134.03248 129.3
[M+NH4]+ 129.07708 126.2
[M+K]+ 150.00642 126.8
[M-H]- 110.03598 118.8
[M+Na-2H]- 132.01793 124.1
[M]+ 111.04271 120.0
[M]- 111.04381 120.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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