CID 95162153

43197-33-7

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 158.6
[M+Na]+ 326.99508 167.5
[M-H]- 302.99858 160.5
[M+NH4]+ 322.03968 174.2
[M+K]+ 342.96902 155.3
[M+H-H2O]+ 287.00312 157.0
[M+HCOO]- 349.00406 175.1
[M+CH3COO]- 363.01971 198.6
[M+Na-2H]- 324.98053 162.3
[M]+ 304.00531 173.7
[M]- 304.00641 173.7
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

No patent data available for this compound.