CID 25125

1126-71-2

Structural Information

Molecular Formula

C₁₀H₁₅N

SMILES

CN(C)CCC1=CC=CC=C1

InChI

InChI=1S/C10H15N/c1-11(2)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3

InChIKey

TXOFSCODFRHERQ-UHFFFAOYSA-N

Compound name

N,N-dimethyl-2-phenylethanamine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 29
References: 3645
Patents: 149.12045 Da
Monoisotopic Mass: 2.4
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]+	150.12773	132.5
[M+Na]+	172.10967	138.8
[M-H]-	148.11317	137.3
[M+NH4]+	167.15427	154.2
[M+K]+	188.08361	138.1
[M+H-H2O]+	132.11771	126.3
[M+HCOO]-	194.11865	158.3
[M+CH3COO]-	208.13430	182.8
[M+Na-2H]-	170.09512	139.8
[M]+	149.11990	133.3
[M]-	149.12100	133.3

Literature stripe

literature stripe

Patent stripe

patents stripe