CID 99054

D-ribonic acid, 2-(phenylmethyl)hydrazide

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₅

SMILES

C1=CC=C(C=C1)CNNC(=O)C(C(C(CO)O)O)O

InChI

InChI=1S/C12H18N2O5/c15-7-9(16)10(17)11(18)12(19)14-13-6-8-4-2-1-3-5-8/h1-5,9-11,13,15-18H,6-7H2,(H,14,19)

InChIKey

RDYPBOROVFITQX-UHFFFAOYSA-N

Compound name

N'-benzyl-2,3,4,5-tetrahydroxypentanehydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 270.12158 Da
Monoisotopic Mass: -1.7
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]+	271.128856	160.8
[M+Na]+	293.110798	162.2
[M-H]-	269.114304	158.2
[M+NH4]+	288.155403	172.8
[M+K]+	309.084738	160.7
[M+H-H2O]+	253.118840	153.8
[M+HCOO]-	315.119781	177.6
[M+CH3COO]-	329.135431	193.8
[M+Na-2H]-	291.096246	161.2
[M]+	270.12103142	156.5
[M]-	270.12212858	156.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe