CID 55284554

3-(methoxymethyl)-1-methyl-1h-pyrazol-4-amine

Structural Information

Molecular Formula

C₆H₁₁N₃O

SMILES

CN1C=C(C(=N1)COC)N

InChI

InChI=1S/C6H11N3O/c1-9-3-5(7)6(8-9)4-10-2/h3H,4,7H2,1-2H3

InChIKey

XWBPAFFFOLTPTR-UHFFFAOYSA-N

Compound name

3-(methoxymethyl)-1-methylpyrazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 141.09021 Da
Monoisotopic Mass: -0.8
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]+	142.097486	127.8
[M+Na]+	164.079428	137.4
[M-H]-	140.082934	129.0
[M+NH4]+	159.124033	148.5
[M+K]+	180.053368	136.4
[M+H-H2O]+	124.087470	121.0
[M+HCOO]-	186.088411	152.1
[M+CH3COO]-	200.104061	176.2
[M+Na-2H]-	162.064876	133.1
[M]+	141.08966142	128.8
[M]-	141.09075858	128.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe