CID 39088

42018-32-6

Structural Information

Molecular Formula

C₁₄H₁₇NO₃

SMILES

CC(=O)C1=CC=C(C=C1)OCC(=O)N2CCCC2

InChI

InChI=1S/C14H17NO3/c1-11(16)12-4-6-13(7-5-12)18-10-14(17)15-8-2-3-9-15/h4-7H,2-3,8-10H2,1H3

InChIKey

GGYYBRCVBOHZBD-UHFFFAOYSA-N

Compound name

2-(4-acetylphenoxy)-1-pyrrolidin-1-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 247.12085 Da
Monoisotopic Mass: 1.1
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]+	248.12813	156.9
[M+Na]+	270.11007	162.2
[M-H]-	246.11357	161.7
[M+NH4]+	265.15467	174.1
[M+K]+	286.08401	160.2
[M+H-H2O]+	230.11811	149.2
[M+HCOO]-	292.11905	176.9
[M+CH3COO]-	306.13470	191.8
[M+Na-2H]-	268.09552	157.4
[M]+	247.12030	156.4
[M]-	247.12140	156.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe