CID 205593

18268-16-1

Structural Information

Molecular Formula

C₁₃H₁₉NO

SMILES

CCCC(C(=O)C1=CC=CC=C1)NCC

InChI

InChI=1S/C13H19NO/c1-3-8-12(14-4-2)13(15)11-9-6-5-7-10-11/h5-7,9-10,12,14H,3-4,8H2,1-2H3

InChIKey

QQAHEGDXEXIQPR-UHFFFAOYSA-N

Compound name

2-(ethylamino)-1-phenylpentan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 753
Patents: 205.14667 Da
Monoisotopic Mass: 2.9
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]+	206.15395	149.6
[M+Na]+	228.13589	154.1
[M-H]-	204.13939	152.5
[M+NH4]+	223.18049	168.0
[M+K]+	244.10983	152.0
[M+H-H2O]+	188.14393	142.9
[M+HCOO]-	250.14487	172.2
[M+CH3COO]-	264.16052	191.1
[M+Na-2H]-	226.12134	153.3
[M]+	205.14612	149.6
[M]-	205.14722	149.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe