CID 3161263

3528-46-9

Structural Information

Molecular Formula

C₁₁H₁₃N₃O

SMILES

COC1=CC=CC=C1CN2C(=CC=N2)N

InChI

InChI=1S/C11H13N3O/c1-15-10-5-3-2-4-9(10)8-14-11(12)6-7-13-14/h2-7H,8,12H2,1H3

InChIKey

NDPAXNCKZIOPJZ-UHFFFAOYSA-N

Compound name

2-[(2-methoxyphenyl)methyl]pyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 10
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]+	204.11315	144.4
[M+Na]+	226.09509	157.2
[M+NH4]+	221.13969	152.3
[M+K]+	242.06903	152.6
[M-H]-	202.09859	147.6
[M+Na-2H]-	224.08054	152.4
[M]+	203.10532	147.0
[M]-	203.10642	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe