CID 23845

3,4-dihydroxy-alpha-((propylamino)methyl)benzyl alcohol

Structural Information

Molecular Formula

C₁₁H₁₇NO₃

SMILES

CCCNCC(C1=CC(=C(C=C1)O)O)O

InChI

InChI=1S/C11H17NO3/c1-2-5-12-7-11(15)8-3-4-9(13)10(14)6-8/h3-4,6,11-15H,2,5,7H2,1H3

InChIKey

FJPVLTFQDJDLPR-UHFFFAOYSA-N

Compound name

4-[1-hydroxy-2-(propylamino)ethyl]benzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 211.12085 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]+	212.12813	147.7
[M+Na]+	234.11007	157.3
[M+NH4]+	229.15467	154.2
[M+K]+	250.08401	152.9
[M-H]-	210.11357	148.0
[M+Na-2H]-	232.09552	151.6
[M]+	211.12030	148.8
[M]-	211.12140	148.8

Literature stripe

literature stripe

Patent stripe

patents stripe