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]+ 141.065856 126.2
[M+Na]+ 163.047798 135.5
[M-H]- 139.051304 126.1
[M+NH4]+ 158.092403 146.4
[M+K]+ 179.021738 134.0
[M+H-H2O]+ 123.055840 119.7
[M+HCOO]- 185.056781 149.0
[M+CH3COO]- 199.072431 169.4
[M+Na-2H]- 161.033246 132.4
[M]+ 140.05803142 127.4
[M]- 140.05912858 127.4
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