CID 85725

14367-46-5

Structural Information

Molecular Formula

C₁₂H₁₉NO

SMILES

CCNC(C)CC1=CC=C(C=C1)OC

InChI

InChI=1S/C12H19NO/c1-4-13-10(2)9-11-5-7-12(14-3)8-6-11/h5-8,10,13H,4,9H2,1-3H3

InChIKey

USBWBBAUWVUJLA-UHFFFAOYSA-N

Compound name

N-ethyl-1-(4-methoxyphenyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 115
Patents: 193.14667 Da
Monoisotopic Mass: 2.6
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]+	194.15395	145.3
[M+Na]+	216.13589	151.2
[M-H]-	192.13939	148.7
[M+NH4]+	211.18049	164.8
[M+K]+	232.10983	149.5
[M+H-H2O]+	176.14393	138.9
[M+HCOO]-	238.14487	169.1
[M+CH3COO]-	252.16052	189.2
[M+Na-2H]-	214.12134	150.2
[M]+	193.14612	146.7
[M]-	193.14722	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe