CID 95162153

2-bromo (s)-carbidopa

Structural Information

Molecular Formula
C10H13BrN2O4
SMILES
C[C@](CC1=CC(=C(C=C1Br)O)O)(C(=O)O)NN
InChI
InChI=1S/C10H13BrN2O4/c1-10(13-12,9(16)17)4-5-2-7(14)8(15)3-6(5)11/h2-3,13-15H,4,12H2,1H3,(H,16,17)/t10-/m0/s1
InChIKey
ZIBONFZRHFUWIX-JTQLQIEISA-N
Compound name
(2S)-3-(2-bromo-4,5-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.00586 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.01314 160.5
[M+Na]+ 326.99508 159.4
[M+NH4]+ 322.03968 161.9
[M+K]+ 342.96902 163.0
[M-H]- 302.99858 158.3
[M+Na-2H]- 324.98053 159.8
[M]+ 304.00531 158.1
[M]- 304.00641 158.1
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

No patent data available for this compound.