CID 3057373

74037-76-6

Structural Information

Molecular Formula

C₁₄H₂₁NO

SMILES

CCCC(C1=CC=CC=C1)N2CCOCC2

InChI

InChI=1S/C14H21NO/c1-2-6-14(13-7-4-3-5-8-13)15-9-11-16-12-10-15/h3-5,7-8,14H,2,6,9-12H2,1H3

InChIKey

UXGYINQPSOCNMG-UHFFFAOYSA-N

Compound name

4-(1-phenylbutyl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 219.16231 Da
Monoisotopic Mass: 2.7
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]+	220.16959	152.7
[M+Na]+	242.15153	156.0
[M-H]-	218.15503	157.1
[M+NH4]+	237.19613	167.7
[M+K]+	258.12547	154.6
[M+H-H2O]+	202.15957	144.2
[M+HCOO]-	264.16051	169.7
[M+CH3COO]-	278.17616	188.5
[M+Na-2H]-	240.13698	157.3
[M]+	219.16176	149.3
[M]-	219.16286	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe