CID 53621862

4-(oxolan-3-yloxy)aniline

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

C1COCC1OC2=CC=C(C=C2)N

InChI

InChI=1S/C10H13NO2/c11-8-1-3-9(4-2-8)13-10-5-6-12-7-10/h1-4,10H,5-7,11H2

InChIKey

KYHZUDAETBCVKW-UHFFFAOYSA-N

Compound name

4-(oxolan-3-yloxy)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 89
Patents: 179.09464 Da
Monoisotopic Mass: 1.3
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	136.7
[M+Na]+	202.08386	143.0
[M-H]-	178.08736	143.4
[M+NH4]+	197.12846	156.4
[M+K]+	218.05780	142.2
[M+H-H2O]+	162.09190	130.4
[M+HCOO]-	224.09284	160.3
[M+CH3COO]-	238.10849	179.9
[M+Na-2H]-	200.06931	142.0
[M]+	179.09409	134.4
[M]-	179.09519	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe