CID 17854509

288083-62-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

212.07971 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.08699 145.2
[M+Na]+ 235.06893 153.4
[M-H]- 211.07243 145.5
[M+NH4]+ 230.11353 162.6
[M+K]+ 251.04287 153.1
[M+H-H2O]+ 195.07697 139.1
[M+HCOO]- 257.07791 164.2
[M+CH3COO]- 271.09356 181.7
[M+Na-2H]- 233.05438 148.5
[M]+ 212.07916 147.7
[M]- 212.08026 147.7
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

patents stripe