CID 53439

76103-58-7

Structural Information

Molecular Formula

C₁₃H₁₇NO

SMILES

CN1CCCC1CC(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H17NO/c1-14-9-5-8-12(14)10-13(15)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3

InChIKey

RWLAXBSTHKJZRW-UHFFFAOYSA-N

Compound name

2-(1-methylpyrrolidin-2-yl)-1-phenylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 203.13101 Da
Monoisotopic Mass: 2.1
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]+	204.13829	148.0
[M+Na]+	226.12023	159.6
[M+NH4]+	221.16483	156.6
[M+K]+	242.09417	154.5
[M-H]-	202.12373	151.0
[M+Na-2H]-	224.10568	154.6
[M]+	203.13046	150.4
[M]-	203.13156	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe