CID 600557

74037-74-4

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

CC(C1=CC=CC=C1)N2CCOCC2

InChI

InChI=1S/C12H17NO/c1-11(12-5-3-2-4-6-12)13-7-9-14-10-8-13/h2-6,11H,7-10H2,1H3

InChIKey

SKPBVBDYKFUVCG-UHFFFAOYSA-N

Compound name

4-(1-phenylethyl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 191.13101 Da
Monoisotopic Mass: 1.8
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]+	192.13829	143.4
[M+Na]+	214.12023	147.6
[M-H]-	190.12373	148.2
[M+NH4]+	209.16483	159.6
[M+K]+	230.09417	146.7
[M+H-H2O]+	174.12827	135.4
[M+HCOO]-	236.12921	161.2
[M+CH3COO]-	250.14486	182.5
[M+Na-2H]-	212.10568	149.2
[M]+	191.13046	139.4
[M]-	191.13156	139.4

Literature stripe

literature stripe

Patent stripe

patents stripe