CID 13809946

112779-14-3

Structural Information

Molecular Formula

C₁₀H₁₇N₃O₂

SMILES

CCOC(=O)C1=C(N(N=C1)C(C)(C)C)N

InChI

InChI=1S/C10H17N3O2/c1-5-15-9(14)7-6-12-13(8(7)11)10(2,3)4/h6H,5,11H2,1-4H3

InChIKey

DJFSJKPXNYYPFK-UHFFFAOYSA-N

Compound name

ethyl 5-amino-1-tert-butylpyrazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 211.13208 Da
Monoisotopic Mass: 1.5
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]+	212.13936	148.5
[M+Na]+	234.12130	157.3
[M+NH4]+	229.16590	154.0
[M+K]+	250.09524	155.9
[M-H]-	210.12480	147.2
[M+Na-2H]-	232.10675	151.4
[M]+	211.13153	149.0
[M]-	211.13263	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe