CID 22649581

2-cyclopropyl-1-phenylethan-1-amine

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

C1CC1CC(C2=CC=CC=C2)N

InChI

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

InChIKey

CZNFPPQWCGEPGX-UHFFFAOYSA-N

Compound name

2-cyclopropyl-1-phenylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 161.12045 Da
Monoisotopic Mass: 2.3
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]+	162.12773	136.5
[M+Na]+	184.10967	149.7
[M+NH4]+	179.15427	146.5
[M+K]+	200.08361	144.3
[M-H]-	160.11317	147.7
[M+Na-2H]-	182.09512	147.2
[M]+	161.11990	142.6
[M]-	161.12100	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe