CID 89559064

Benzenamine, 2-methyl-4-(3-oxetanyloxy)-

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

CC1=C(C=CC(=C1)OC2COC2)N

InChI

InChI=1S/C10H13NO2/c1-7-4-8(2-3-10(7)11)13-9-5-12-6-9/h2-4,9H,5-6,11H2,1H3

InChIKey

NYVOXSFZXUXFFQ-UHFFFAOYSA-N

Compound name

2-methyl-4-(oxetan-3-yloxy)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 179.09464 Da
Monoisotopic Mass: 0.9
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]+	180.10192	136.8
[M+Na]+	202.08386	144.7
[M+NH4]+	197.12846	141.5
[M+K]+	218.05780	141.1
[M-H]-	178.08736	139.3
[M+Na-2H]-	200.06931	141.2
[M]+	179.09409	137.4
[M]-	179.09519	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe