CID 13687900

28860-96-0

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₄

SMILES

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

InChI

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

InChIKey

RPCRUCVXKKSQBD-UHFFFAOYSA-N

Compound name

3-(3,4-dimethoxyphenyl)-2-hydrazinyl-2-methylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 21
Patents: 254.12666 Da
Monoisotopic Mass: -1.5
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]+	255.133936	156.8
[M+Na]+	277.115878	162.6
[M-H]-	253.119384	158.7
[M+NH4]+	272.160483	172.4
[M+K]+	293.089818	161.4
[M+H-H2O]+	237.123920	150.3
[M+HCOO]-	299.124861	178.6
[M+CH3COO]-	313.140511	198.4
[M+Na-2H]-	275.101326	160.7
[M]+	254.12611142	158.0
[M]-	254.12720858	158.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe