CID 130055301

1252855-23-4

Structural Information

Molecular Formula
C9H12N2O4
SMILES
CC(C)(C)OC(=O)N1C=CC(=N1)C(=O)O
InChI
InChI=1S/C9H12N2O4/c1-9(2,3)15-8(14)11-5-4-6(10-11)7(12)13/h4-5H,1-3H3,(H,12,13)
InChIKey
LBNMIKIVJHHDNF-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.07971 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.08699 145.6
[M+Na]+ 235.06893 154.0
[M+NH4]+ 230.11353 150.1
[M+K]+ 251.04287 154.2
[M-H]- 211.07243 142.2
[M+Na-2H]- 233.05438 147.9
[M]+ 212.07916 145.3
[M]- 212.08026 145.3
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.