CID 46784135

920482-81-1

Structural Information

Molecular Formula

C₁₃H₂₀N₂O

SMILES

CNCC1=CC=C(C=C1)CN2CCOCC2

InChI

InChI=1S/C13H20N2O/c1-14-10-12-2-4-13(5-3-12)11-15-6-8-16-9-7-15/h2-5,14H,6-11H2,1H3

InChIKey

UOBZVJHWHJAJCT-UHFFFAOYSA-N

Compound name

N-methyl-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 220.15756 Da
Monoisotopic Mass: 0.9
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]+	221.16484	151.9
[M+Na]+	243.14678	156.0
[M-H]-	219.15028	156.6
[M+NH4]+	238.19138	166.9
[M+K]+	259.12072	154.2
[M+H-H2O]+	203.15482	143.3
[M+HCOO]-	265.15576	171.3
[M+CH3COO]-	279.17141	190.6
[M+Na-2H]-	241.13223	157.9
[M]+	220.15701	148.5
[M]-	220.15811	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe