CID 15907303

3-(2,5-diaminophenyl)propan-1-ol

Structural Information

Molecular Formula

C₉H₁₄N₂O

SMILES

C1=CC(=C(C=C1N)CCCO)N

InChI

InChI=1S/C9H14N2O/c10-8-3-4-9(11)7(6-8)2-1-5-12/h3-4,6,12H,1-2,5,10-11H2

InChIKey

YUJXSPKHJRUTMT-UHFFFAOYSA-N

Compound name

3-(2,5-diaminophenyl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 200
Patents: 166.11061 Da
Monoisotopic Mass: 0.5
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]+	167.11789	135.5
[M+Na]+	189.09983	146.0
[M+NH4]+	184.14443	143.4
[M+K]+	205.07377	140.4
[M-H]-	165.10333	138.1
[M+Na-2H]-	187.08528	141.1
[M]+	166.11006	137.4
[M]-	166.11116	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe