CID 108661

3-chloro-4-morpholinoaniline

Structural Information

Molecular Formula

C₁₀H₁₃ClN₂O

SMILES

C1COCCN1C2=C(C=C(C=C2)N)Cl

InChI

InChI=1S/C10H13ClN2O/c11-9-7-8(12)1-2-10(9)13-3-5-14-6-4-13/h1-2,7H,3-6,12H2

InChIKey

BBUAXVLPFRRBQR-UHFFFAOYSA-N

Compound name

3-chloro-4-morpholin-4-ylaniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 8
References: 420
Patents: 212.07164 Da
Monoisotopic Mass: 1.6
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]+	213.07892	144.7
[M+Na]+	235.06086	158.5
[M+NH4]+	230.10546	154.0
[M+K]+	251.03480	151.4
[M-H]-	211.06436	150.6
[M+Na-2H]-	233.04631	152.2
[M]+	212.07109	148.6
[M]-	212.07219	148.6

Literature stripe

literature stripe

Patent stripe

patents stripe