CID 20667286

1-[4-(aminomethyl)phenyl]ethan-1-amine dihydrochloride

Structural Information

Molecular Formula

C₉H₁₄N₂

SMILES

CC(C1=CC=C(C=C1)CN)N

InChI

InChI=1S/C9H14N2/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5,7H,6,10-11H2,1H3

InChIKey

MEHDHRUTQHJLFN-UHFFFAOYSA-N

Compound name

1-[4-(aminomethyl)phenyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 150.11569 Da
Monoisotopic Mass: 0.0
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]+	151.12297	132.8
[M+Na]+	173.10491	143.7
[M+NH4]+	168.14951	141.6
[M+K]+	189.07885	137.8
[M-H]-	149.10841	136.2
[M+Na-2H]-	171.09036	139.4
[M]+	150.11514	135.1
[M]-	150.11624	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe