CID 21964632

91908-71-3

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₄

SMILES

CCOC(=O)C(C)(CC1=CC(=C(C=C1)O)O)NN

InChI

InChI=1S/C12H18N2O4/c1-3-18-11(17)12(2,14-13)7-8-4-5-9(15)10(16)6-8/h4-6,14-16H,3,7,13H2,1-2H3

InChIKey

IVYOMTNVXXPNCD-UHFFFAOYSA-N

Compound name

ethyl 3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 254.12666 Da
Monoisotopic Mass: 0.8
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]+	255.133936	157.4
[M+Na]+	277.115878	162.8
[M-H]-	253.119384	157.9
[M+NH4]+	272.160483	172.3
[M+K]+	293.089818	160.8
[M+H-H2O]+	237.123920	151.2
[M+HCOO]-	299.124861	177.7
[M+CH3COO]-	313.140511	195.5
[M+Na-2H]-	275.101326	160.8
[M]+	254.12611142	156.6
[M]-	254.12720858	156.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe