CID 28721838

494777-08-1

Structural Information

Molecular Formula

C₁₁H₁₅ClN₂O

SMILES

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

InChI

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

InChIKey

DNKXTMCJOGBDQF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
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]+	227.094576	150.8
[M+Na]+	249.076518	157.5
[M-H]-	225.080024	155.5
[M+NH4]+	244.121123	166.5
[M+K]+	265.050458	154.0
[M+H-H2O]+	209.084560	143.4
[M+HCOO]-	271.085501	165.6
[M+CH3COO]-	285.101151	188.9
[M+Na-2H]-	247.061966	155.5
[M]+	226.08675142	148.2
[M]-	226.08784858	148.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe