CID 205601

4-meap

Structural Information

Molecular Formula

C₁₄H₂₁NO

SMILES

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

InChI

InChI=1S/C14H21NO/c1-4-6-13(15-5-2)14(16)12-9-7-11(3)8-10-12/h7-10,13,15H,4-6H2,1-3H3

InChIKey

IKIANZXWCBSIGA-UHFFFAOYSA-N

Compound name

2-(ethylamino)-1-(4-methylphenyl)pentan-1-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 1
Patents: 219.16231 Da
Monoisotopic Mass: 3.2
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	153.6
[M+Na]+	242.15153	158.7
[M-H]-	218.15503	156.7
[M+NH4]+	237.19613	171.8
[M+K]+	258.12547	156.4
[M+H-H2O]+	202.15957	147.0
[M+HCOO]-	264.16051	175.9
[M+CH3COO]-	278.17616	195.3
[M+Na-2H]-	240.13698	156.1
[M]+	219.16176	154.4
[M]-	219.16286	154.4

Literature stripe

literature stripe

Patent stripe

patents stripe