CID 17756286

769961-16-2

Structural Information

Molecular Formula

C₁₁H₁₅ClN₂O

SMILES

C1COCCN1CC2=C(C=CC(=C2)N)Cl

InChI

InChI=1S/C11H15ClN2O/c12-11-2-1-10(13)7-9(11)8-14-3-5-15-6-4-14/h1-2,7H,3-6,8,13H2

InChIKey

KHBXNTAWKWNUIS-UHFFFAOYSA-N

Compound name

4-chloro-3-(morpholin-4-ylmethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 226.0873 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]+	227.09458	150.8
[M+Na]+	249.07652	157.5
[M-H]-	225.08002	155.5
[M+NH4]+	244.12112	166.5
[M+K]+	265.05046	154.0
[M+H-H2O]+	209.08456	143.4
[M+HCOO]-	271.08550	165.6
[M+CH3COO]-	285.10115	188.9
[M+Na-2H]-	247.06197	155.5
[M]+	226.08675	148.2
[M]-	226.08785	148.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe