CID 76064178

4-(2-aminoethyl)-2-hydroxyphenyl

Structural Information

Molecular Formula

C₁₄H₁₉NO₈

SMILES

C1=CC(=C(C=C1CCN)O)OC2C(C(C(C(O2)C(=O)O)O)O)O

InChI

InChI=1S/C14H19NO8/c15-4-3-6-1-2-8(7(16)5-6)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h1-2,5,9-12,14,16-19H,3-4,15H2,(H,20,21)

InChIKey

CQASRCDNLNMIJY-UHFFFAOYSA-N

Compound name

6-[4-(2-aminoethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 15
Patents: 329.11105 Da
Monoisotopic Mass: -3.3
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]+	330.118326	172.7
[M+Na]+	352.100268	177.4
[M-H]-	328.103774	173.1
[M+NH4]+	347.144873	181.3
[M+K]+	368.074208	176.1
[M+H-H2O]+	312.108310	165.5
[M+HCOO]-	374.109251	185.0
[M+CH3COO]-	388.124901	202.9
[M+Na-2H]-	350.085716	170.9
[M]+	329.11050142	170.1
[M]-	329.11159858	170.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.