CID 24702608

1-(2-hydroxyethyl)-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C6H8N2O2
SMILES
C1=C(C=NN1CCO)C=O
InChI
InChI=1S/C6H8N2O2/c9-2-1-8-4-6(5-10)3-7-8/h3-5,9H,1-2H2
InChIKey
VFYTYIOYCWGXQW-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

140.05858 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.06586 127.8
[M+Na]+ 163.04780 138.7
[M+NH4]+ 158.09240 134.7
[M+K]+ 179.02174 135.6
[M-H]- 139.05130 126.8
[M+Na-2H]- 161.03325 132.5
[M]+ 140.05803 128.7
[M]- 140.05913 128.7
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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