CID 90480922

1431962-49-0

Structural Information

Molecular Formula

C₇H₁₃N₃O₂

SMILES

CN1C=C(C(=N1)OCCOC)N

InChI

InChI=1S/C7H13N3O2/c1-10-5-6(8)7(9-10)12-4-3-11-2/h5H,3-4,8H2,1-2H3

InChIKey

NRTSLSMJVKEJRL-UHFFFAOYSA-N

Compound name

3-(2-methoxyethoxy)-1-methylpyrazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 171.10077 Da
Monoisotopic Mass: -0.3
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]+	172.10805	135.8
[M+Na]+	194.08999	145.8
[M+NH4]+	189.13459	142.4
[M+K]+	210.06393	143.1
[M-H]-	170.09349	135.6
[M+Na-2H]-	192.07544	140.0
[M]+	171.10022	136.8
[M]-	171.10132	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.