CID 21964632

Carbidopa ethyl ester

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

102
Patents

254.12666 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.13394 157.6
[M+Na]+ 277.11588 165.2
[M+NH4]+ 272.16048 162.4
[M+K]+ 293.08982 162.6
[M-H]- 253.11938 157.0
[M+Na-2H]- 275.10133 160.4
[M]+ 254.12611 158.0
[M]- 254.12721 158.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe