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: 50
Patents: 169.08513 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	170.09241	135.9
[M+Na]+	192.07435	144.7
[M+NH4]+	187.11895	141.7
[M+K]+	208.04829	143.9
[M-H]-	168.07785	134.6
[M+Na-2H]-	190.05980	138.7
[M]+	169.08458	136.2
[M]-	169.08568	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe