CID 67124065

26262-07-7

Structural Information

Molecular Formula
C7H11N3O2
SMILES
CC(C)N1C(=C(C=N1)C(=O)O)N
InChI
InChI=1S/C7H11N3O2/c1-4(2)10-6(8)5(3-9-10)7(11)12/h3-4H,8H2,1-2H3,(H,11,12)
InChIKey
IAJRTGABDFKUSX-UHFFFAOYSA-N
Compound name
5-amino-1-propan-2-ylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

169.08513 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.092406 135.7
[M+Na]+ 192.074348 144.1
[M-H]- 168.077854 135.7
[M+NH4]+ 187.118953 154.3
[M+K]+ 208.048288 142.8
[M+H-H2O]+ 152.082390 129.1
[M+HCOO]- 214.083331 156.6
[M+CH3COO]- 228.098981 179.7
[M+Na-2H]- 190.059796 137.6
[M]+ 169.08458142 134.6
[M]- 169.08567858 134.6
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