CID 5460287

(-)-homoisocitrate(3-)

Structural Information

Molecular Formula
C7H10O7
SMILES
C(CC(=O)O)[C@@H]([C@H](C(=O)O)O)C(=O)O
InChI
InChI=1S/C7H10O7/c8-4(9)2-1-3(6(11)12)5(10)7(13)14/h3,5,10H,1-2H2,(H,8,9)(H,11,12)(H,13,14)/t3-,5+/m0/s1
InChIKey
OEJZZCGRGVFWHK-WVZVXSGGSA-N
Compound name
(1R,2S)-1-hydroxybutane-1,2,4-tricarboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

180
Patents

206.04265 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.04993 142.4
[M+Na]+ 229.03187 146.6
[M+NH4]+ 224.07647 144.5
[M+K]+ 245.00581 148.3
[M-H]- 205.03537 135.2
[M+Na-2H]- 227.01732 139.4
[M]+ 206.04210 139.9
[M]- 206.04320 139.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe