CID 80749408

3-methoxy-5-(1h-pyrazol-1-yl)aniline

Structural Information

Molecular Formula

C₁₀H₁₁N₃O

SMILES

COC1=CC(=CC(=C1)N2C=CC=N2)N

InChI

InChI=1S/C10H11N3O/c1-14-10-6-8(11)5-9(7-10)13-4-2-3-12-13/h2-7H,11H2,1H3

InChIKey

ZJNRSFXUCSHPCS-UHFFFAOYSA-N

Compound name

3-methoxy-5-pyrazol-1-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 189.09021 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]+	190.097486	138.8
[M+Na]+	212.079428	148.1
[M-H]-	188.082934	143.2
[M+NH4]+	207.124033	157.2
[M+K]+	228.053368	145.2
[M+H-H2O]+	172.087470	130.7
[M+HCOO]-	234.088411	163.4
[M+CH3COO]-	248.104061	183.7
[M+Na-2H]-	210.064876	144.5
[M]+	189.08966142	138.8
[M]-	189.09075858	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe