CID 15919756

2-cyclopropyl-2-phenylethan-1-amine hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

C1CC1C(CN)C2=CC=CC=C2

InChI

InChI=1S/C11H15N/c12-8-11(10-6-7-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8,12H2

InChIKey

YJFNTOKQVRSFQZ-UHFFFAOYSA-N

Compound name

2-cyclopropyl-2-phenylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 161.12045 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]+	162.127726	131.5
[M+Na]+	184.109668	139.0
[M-H]-	160.113174	138.4
[M+NH4]+	179.154273	146.9
[M+K]+	200.083608	136.0
[M+H-H2O]+	144.117710	124.9
[M+HCOO]-	206.118651	155.7
[M+CH3COO]-	220.134301	184.2
[M+Na-2H]-	182.095116	137.8
[M]+	161.11990142	131.1
[M]-	161.12099858	131.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe