CID 45600721

Ethyl 1-(hydroxymethyl)-1h-pyrazole-3-carboxylate

Structural Information

Molecular Formula
C7H10N2O3
SMILES
CCOC(=O)C1=NN(C=C1)CO
InChI
InChI=1S/C7H10N2O3/c1-2-12-7(11)6-3-4-9(5-10)8-6/h3-4,10H,2,5H2,1H3
InChIKey
SSARJIQMBWQQBA-UHFFFAOYSA-N
Compound name
ethyl 1-(hydroxymethyl)pyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.06914 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.07642 134.2
[M+Na]+ 193.05836 142.7
[M-H]- 169.06186 134.1
[M+NH4]+ 188.10296 153.1
[M+K]+ 209.03230 141.9
[M+H-H2O]+ 153.06640 127.4
[M+HCOO]- 215.06734 155.9
[M+CH3COO]- 229.08299 174.6
[M+Na-2H]- 191.04381 138.6
[M]+ 170.06859 136.4
[M]- 170.06969 136.4
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.