CID 1096406

123207-48-7

Structural Information

Molecular Formula

C₁₁H₁₆N₂O

SMILES

C1COCCN1CC2=CC(=CC=C2)N

InChI

InChI=1S/C11H16N2O/c12-11-3-1-2-10(8-11)9-13-4-6-14-7-5-13/h1-3,8H,4-7,9,12H2

InChIKey

IHHKTIKNEDOMIK-UHFFFAOYSA-N

Compound name

3-(morpholin-4-ylmethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 350
Patents: 192.12627 Da
Monoisotopic Mass: 0.3
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]+	193.13355	143.3
[M+Na]+	215.11549	148.3
[M-H]-	191.11899	148.0
[M+NH4]+	210.16009	159.2
[M+K]+	231.08943	146.6
[M+H-H2O]+	175.12353	135.2
[M+HCOO]-	237.12447	162.8
[M+CH3COO]-	251.14012	183.9
[M+Na-2H]-	213.10094	149.4
[M]+	192.12572	138.2
[M]-	192.12682	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe