CID 132342015

2137991-87-6

Structural Information

Molecular Formula

C₁₂H₁₉N₃O₄

SMILES

CC(C)(C)OC(=O)NCCCN1C=CC(=N1)C(=O)O

InChI

InChI=1S/C12H19N3O4/c1-12(2,3)19-11(18)13-6-4-7-15-8-5-9(14-15)10(16)17/h5,8H,4,6-7H2,1-3H3,(H,13,18)(H,16,17)

InChIKey

FIVCTGZFUAZUIJ-UHFFFAOYSA-N

Compound name

1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrazole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 269.13754 Da
Monoisotopic Mass: 1.1
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]+	270.144816	163.0
[M+Na]+	292.126758	168.8
[M-H]-	268.130264	162.7
[M+NH4]+	287.171363	177.6
[M+K]+	308.100698	167.8
[M+H-H2O]+	252.134800	155.7
[M+HCOO]-	314.135741	181.9
[M+CH3COO]-	328.151391	195.8
[M+Na-2H]-	290.112206	165.2
[M]+	269.13699142	165.7
[M]-	269.13808858	165.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.