CID 21954997

503177-30-8

Structural Information

Molecular Formula

C₁₁H₁₆N₂O

SMILES

CC1=C(C=C(C=C1)N)N2CCOCC2

InChI

InChI=1S/C11H16N2O/c1-9-2-3-10(12)8-11(9)13-4-6-14-7-5-13/h2-3,8H,4-7,12H2,1H3

InChIKey

KDBVWSFAUHHIJP-UHFFFAOYSA-N

Compound name

4-methyl-3-morpholin-4-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 192.12627 Da
Monoisotopic Mass: 1.4
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	143.7
[M+Na]+	215.11549	149.8
[M-H]-	191.11899	148.9
[M+NH4]+	210.16009	160.0
[M+K]+	231.08943	148.1
[M+H-H2O]+	175.12353	135.9
[M+HCOO]-	237.12447	163.2
[M+CH3COO]-	251.14012	185.1
[M+Na-2H]-	213.10094	149.1
[M]+	192.12572	139.1
[M]-	192.12682	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe