CID 13589972

Carbidopa methyl ester

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₄

SMILES

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

InChI

InChI=1S/C11H16N2O4/c1-11(13-12,10(16)17-2)6-7-3-4-8(14)9(15)5-7/h3-5,13-15H,6,12H2,1-2H3

InChIKey

IETYBXLXKYRFEN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 240.11101 Da
Monoisotopic Mass: 0.4
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]+	241.118286	152.9
[M+Na]+	263.100228	158.8
[M-H]-	239.103734	153.6
[M+NH4]+	258.144833	168.4
[M+K]+	279.074168	157.0
[M+H-H2O]+	223.108270	146.9
[M+HCOO]-	285.109211	173.6
[M+CH3COO]-	299.124861	192.4
[M+Na-2H]-	261.085676	156.8
[M]+	240.11046142	151.7
[M]-	240.11155858	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe