CID 15151925

116601-09-3

Structural Information

Molecular Formula
C7H12O6
SMILES
CC(C)OC(=O)[C@@H]([C@H](C(=O)O)O)O
InChI
InChI=1S/C7H12O6/c1-3(2)13-7(12)5(9)4(8)6(10)11/h3-5,8-9H,1-2H3,(H,10,11)/t4-,5-/m1/s1
InChIKey
SSZYZSRPAKZEIB-RFZPGFLSSA-N
Compound name
(2R,3R)-2,3-dihydroxy-4-oxo-4-propan-2-yloxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

192.06339 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.07067 139.6
[M+Na]+ 215.05261 144.4
[M-H]- 191.05611 135.7
[M+NH4]+ 210.09721 156.4
[M+K]+ 231.02655 145.5
[M+H-H2O]+ 175.06065 135.0
[M+HCOO]- 237.06159 155.4
[M+CH3COO]- 251.07724 177.1
[M+Na-2H]- 213.03806 138.4
[M]+ 192.06284 139.5
[M]- 192.06394 139.5
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