CID 150850

775-33-7

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

CN(C)CCC1=CC=C(C=C1)OC

InChI

InChI=1S/C11H17NO/c1-12(2)9-8-10-4-6-11(13-3)7-5-10/h4-7H,8-9H2,1-3H3

InChIKey

BGSZBHCYLIHECZ-UHFFFAOYSA-N

Compound name

2-(4-methoxyphenyl)-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 107
Patents: 179.13101 Da
Monoisotopic Mass: 2.2
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]+	180.138286	140.1
[M+Na]+	202.120228	146.8
[M-H]-	178.123734	145.1
[M+NH4]+	197.164833	160.8
[M+K]+	218.094168	146.4
[M+H-H2O]+	162.128270	133.6
[M+HCOO]-	224.129211	165.8
[M+CH3COO]-	238.144861	188.9
[M+Na-2H]-	200.105676	146.0
[M]+	179.13046142	143.0
[M]-	179.13155858	143.0

Literature stripe

literature stripe

Patent stripe

patents stripe