CID 24979

10137-87-8

Structural Information

Molecular Formula

C₁₀H₁₅N

SMILES

CCNC(C)C1=CC=CC=C1

InChI

InChI=1S/C10H15N/c1-3-11-9(2)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3

InChIKey

GJKPTDGTWOVONJ-UHFFFAOYSA-N

Compound name

N-ethyl-1-phenylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 170
Patents: 149.12045 Da
Monoisotopic Mass: 2.1
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]+	150.127726	133.1
[M+Na]+	172.109668	138.9
[M-H]-	148.113174	136.5
[M+NH4]+	167.154273	154.0
[M+K]+	188.083608	137.2
[M+H-H2O]+	132.117710	127.1
[M+HCOO]-	194.118651	157.3
[M+CH3COO]-	208.134301	180.1
[M+Na-2H]-	170.095116	139.8
[M]+	149.11990142	131.9
[M]-	149.12099858	131.9

Literature stripe

literature stripe

Patent stripe

patents stripe