CID 4030630

1158411-75-6

Structural Information

Molecular Formula

C₁₂H₁₉NO

SMILES

CCC1=CC=C(C=C1)CNCCOC

InChI

InChI=1S/C12H19NO/c1-3-11-4-6-12(7-5-11)10-13-8-9-14-2/h4-7,13H,3,8-10H2,1-2H3

InChIKey

SGJFUYWQUDFJDW-UHFFFAOYSA-N

Compound name

N-[(4-ethylphenyl)methyl]-2-methoxyethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 193.14667 Da
Monoisotopic Mass: 1.9
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]+	194.15395	144.9
[M+Na]+	216.13589	156.9
[M+NH4]+	211.18049	153.6
[M+K]+	232.10983	149.2
[M-H]-	192.13939	148.0
[M+Na-2H]-	214.12134	151.9
[M]+	193.14612	147.4
[M]-	193.14722	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe