CID 83396277

1562232-38-5

Structural Information

Molecular Formula
C10H12N2O4
SMILES
CCOC(=O)C(=O)/C=C(/C1=CC=NN1C)\O
InChI
InChI=1S/C10H12N2O4/c1-3-16-10(15)9(14)6-8(13)7-4-5-11-12(7)2/h4-6,13H,3H2,1-2H3/b8-6-
InChIKey
LGQNQIXXEJTLGI-VURMDHGXSA-N
Compound name
ethyl (Z)-4-hydroxy-4-(2-methylpyrazol-3-yl)-2-oxobut-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.07971 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.086986 148.5
[M+Na]+ 247.068928 155.8
[M-H]- 223.072434 148.3
[M+NH4]+ 242.113533 164.9
[M+K]+ 263.042868 154.6
[M+H-H2O]+ 207.076970 141.5
[M+HCOO]- 269.077911 167.9
[M+CH3COO]- 283.093561 185.1
[M+Na-2H]- 245.054376 149.1
[M]+ 224.07916142 150.6
[M]- 224.08025858 150.6
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.