CID 51358399

126645-75-8

Structural Information

Molecular Formula

C₁₃H₂₀N₂O

SMILES

CNCC1CN(CCO1)CC2=CC=CC=C2

InChI

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

InChIKey

CNCPNEYAICYKCN-UHFFFAOYSA-N

Compound name

1-(4-benzylmorpholin-2-yl)-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 220.15756 Da
Monoisotopic Mass: 1.0
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