CID 82654745

1540284-96-5

Structural Information

Molecular Formula
C8H10N2O3
SMILES
CN1C=CC(=N1)C(=O)CC(=O)OC
InChI
InChI=1S/C8H10N2O3/c1-10-4-3-6(9-10)7(11)5-8(12)13-2/h3-4H,5H2,1-2H3
InChIKey
FBILKNDSYQTTJQ-UHFFFAOYSA-N
Compound name
methyl 3-(1-methylpyrazol-3-yl)-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.06914 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.076416 136.8
[M+Na]+ 205.058358 145.5
[M-H]- 181.061864 138.2
[M+NH4]+ 200.102963 155.8
[M+K]+ 221.032298 145.2
[M+H-H2O]+ 165.066400 129.9
[M+HCOO]- 227.067341 158.9
[M+CH3COO]- 241.082991 180.2
[M+Na-2H]- 203.043806 140.1
[M]+ 182.06859142 140.0
[M]- 182.06968858 140.0
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.