CID 132371380

4-formyl-1-(oxan-4-yl)-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C10H12N2O4
SMILES
C1COCCC1N2C=C(C(=N2)C(=O)O)C=O
InChI
InChI=1S/C10H12N2O4/c13-6-7-5-12(11-9(7)10(14)15)8-1-3-16-4-2-8/h5-6,8H,1-4H2,(H,14,15)
InChIKey
VKPCUFDNMSTVBF-UHFFFAOYSA-N
Compound name
4-formyl-1-(oxan-4-yl)pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.07971 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.08699 148.6
[M+Na]+ 247.06893 158.4
[M+NH4]+ 242.11353 154.2
[M+K]+ 263.04287 156.9
[M-H]- 223.07243 149.7
[M+Na-2H]- 245.05438 151.8
[M]+ 224.07916 149.8
[M]- 224.08026 149.8
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.