CID 66509526

1431962-44-5

Structural Information

Molecular Formula

C₆H₁₁N₃O

SMILES

CCN1C=C(C(=N1)OC)N

InChI

InChI=1S/C6H11N3O/c1-3-9-4-5(7)6(8-9)10-2/h4H,3,7H2,1-2H3

InChIKey

UXZYNPKVFMWVMT-UHFFFAOYSA-N

Compound name

1-ethyl-3-methoxypyrazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 141.09021 Da
Monoisotopic Mass: 0.2
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]+	142.09749	127.8
[M+Na]+	164.07943	137.4
[M-H]-	140.08293	129.0
[M+NH4]+	159.12403	148.5
[M+K]+	180.05337	136.4
[M+H-H2O]+	124.08747	121.0
[M+HCOO]-	186.08841	152.1
[M+CH3COO]-	200.10406	176.2
[M+Na-2H]-	162.06488	133.1
[M]+	141.08966	128.8
[M]-	141.09076	128.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe