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

97
Patents

240.11101 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.11829 152.9
[M+Na]+ 263.10023 158.8
[M-H]- 239.10373 153.6
[M+NH4]+ 258.14483 168.4
[M+K]+ 279.07417 157.0
[M+H-H2O]+ 223.10827 146.9
[M+HCOO]- 285.10921 173.6
[M+CH3COO]- 299.12486 192.4
[M+Na-2H]- 261.08568 156.8
[M]+ 240.11046 151.7
[M]- 240.11156 151.7
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