CID 5289458

Ns00070196

Structural Information

Molecular Formula
C4H6O5
SMILES
C(=C(O)O)[C@H](C(=O)O)O
InChI
InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h1-2,5-7H,(H,8,9)/t2-/m1/s1
InChIKey
QFBHYOKSQPPXHZ-UWTATZPHSA-N
Compound name
(2R)-2,4,4-trihydroxybut-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

134.02153 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.02881 124.9
[M+Na]+ 157.01075 131.0
[M-H]- 133.01425 119.9
[M+NH4]+ 152.05535 143.5
[M+K]+ 172.98469 130.2
[M+H-H2O]+ 117.01879 121.0
[M+HCOO]- 179.01973 141.8
[M+CH3COO]- 193.03538 161.4
[M+Na-2H]- 154.99620 127.0
[M]+ 134.02098 121.5
[M]- 134.02208 121.5
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

No patent data available for this compound.