CID 122171663

4-[3-(methoxycarbonyl)-1h-pyrazol-1-yl]butanoic acid

Structural Information

Molecular Formula
C9H12N2O4
SMILES
COC(=O)C1=NN(C=C1)CCCC(=O)O
InChI
InChI=1S/C9H12N2O4/c1-15-9(14)7-4-6-11(10-7)5-2-3-8(12)13/h4,6H,2-3,5H2,1H3,(H,12,13)
InChIKey
YRTXBAJSMDLJGW-UHFFFAOYSA-N
Compound name
4-(3-methoxycarbonylpyrazol-1-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.07971 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.08699 146.5
[M+Na]+ 235.06893 155.2
[M+NH4]+ 230.11353 151.1
[M+K]+ 251.04287 154.0
[M-H]- 211.07243 143.7
[M+Na-2H]- 233.05438 148.7
[M]+ 212.07916 146.3
[M]- 212.08026 146.3
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.