CID 785137

1h-benzimidazole-2-propanoic acid, a,b-dihydroxy-, (ar,bs)-

Structural Information

Molecular Formula
C10H10N2O4
SMILES
C1=CC=C2C(=C1)NC(=N2)[C@@H]([C@H](C(=O)O)O)O
InChI
InChI=1S/C10H10N2O4/c13-7(8(14)10(15)16)9-11-5-3-1-2-4-6(5)12-9/h1-4,7-8,13-14H,(H,11,12)(H,15,16)/t7-,8-/m1/s1
InChIKey
FUOWVFMEVIDAKH-HTQZYQBOSA-N
Compound name
(2R,3S)-3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

222.06406 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.07134 145.6
[M+Na]+ 245.05328 153.1
[M-H]- 221.05678 142.9
[M+NH4]+ 240.09788 161.0
[M+K]+ 261.02722 149.8
[M+H-H2O]+ 205.06132 139.4
[M+HCOO]- 267.06226 161.3
[M+CH3COO]- 281.07791 178.5
[M+Na-2H]- 243.03873 148.9
[M]+ 222.06351 144.1
[M]- 222.06461 144.1
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.