CID 33783221

1152708-61-6

Structural Information

Molecular Formula

C₁₁H₁₃N₃O

SMILES

CN1C(=CC(=N1)C2=CC(=CC=C2)OC)N

InChI

InChI=1S/C11H13N3O/c1-14-11(12)7-10(13-14)8-4-3-5-9(6-8)15-2/h3-7H,12H2,1-2H3

InChIKey

FXIWGYYBITYODW-UHFFFAOYSA-N

Compound name

3-(3-methoxyphenyl)-1-methylpyrazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 203.10587 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]+	204.113146	143.7
[M+Na]+	226.095088	153.5
[M-H]-	202.098594	148.3
[M+NH4]+	221.139693	161.9
[M+K]+	242.069028	150.3
[M+H-H2O]+	186.103130	135.7
[M+HCOO]-	248.104071	167.9
[M+CH3COO]-	262.119721	187.9
[M+Na-2H]-	224.080536	148.1
[M]+	203.10532142	144.5
[M]-	203.10641858	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe