CID 18054

1-phenylpropan-1-amine

Structural Information

Molecular Formula

C₉H₁₃N

SMILES

CCC(C1=CC=CC=C1)N

InChI

InChI=1S/C9H13N/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9H,2,10H2,1H3

InChIKey

AQFLVLHRZFLDDV-UHFFFAOYSA-N

Compound name

1-phenylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 6183
Patents: 135.1048 Da
Monoisotopic Mass: 1.7
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]+	136.11208	129.0
[M+Na]+	158.09402	135.3
[M-H]-	134.09752	132.0
[M+NH4]+	153.13862	150.2
[M+K]+	174.06796	133.5
[M+H-H2O]+	118.10206	123.3
[M+HCOO]-	180.10300	153.0
[M+CH3COO]-	194.11865	176.3
[M+Na-2H]-	156.07947	135.2
[M]+	135.10425	126.5
[M]-	135.10535	126.5

Literature stripe

literature stripe

Patent stripe

patents stripe