CID 90135673

1609394-10-6

Structural Information

Molecular Formula

C₁₀H₁₂N₄O

SMILES

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

InChI

InChI=1S/C10H12N4O/c1-14-6-12-10(13-14)7-4-3-5-8(11)9(7)15-2/h3-6H,11H2,1-2H3

InChIKey

FIAZRZSVFOMYSD-UHFFFAOYSA-N

Compound name

2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 206
Patents: 204.1011 Da
Monoisotopic Mass: 1.0
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]+	205.10838	144.1
[M+Na]+	227.09032	157.2
[M+NH4]+	222.13492	151.3
[M+K]+	243.06426	153.4
[M-H]-	203.09382	146.6
[M+Na-2H]-	225.07577	151.7
[M]+	204.10055	146.5
[M]-	204.10165	146.5

Literature stripe

literature stripe

Patent stripe

patents stripe