CID 213299

26076-87-9

Structural Information

Molecular Formula

C₁₂H₂₀N₂

SMILES

CC(CC1=CC=C(C=C1)CC(C)N)N

InChI

InChI=1S/C12H20N2/c1-9(13)7-11-3-5-12(6-4-11)8-10(2)14/h3-6,9-10H,7-8,13-14H2,1-2H3

InChIKey

GXAGLDWVSKSQNN-UHFFFAOYSA-N

Compound name

1-[4-(2-aminopropyl)phenyl]propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 192.16264 Da
Monoisotopic Mass: 1.4
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]+	193.16992	146.9
[M+Na]+	215.15186	156.8
[M+NH4]+	210.19646	155.1
[M+K]+	231.12580	151.0
[M-H]-	191.15536	150.0
[M+Na-2H]-	213.13731	152.3
[M]+	192.16209	149.0
[M]-	192.16319	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe