CID 758262

130795-19-6

Structural Information

Molecular Formula
C6H6O4
SMILES
C1=COC(=C1)[C@H](C(=O)O)O
InChI
InChI=1S/C6H6O4/c7-5(6(8)9)4-2-1-3-10-4/h1-3,5,7H,(H,8,9)/t5-/m1/s1
InChIKey
RTLDJXGEOSVJEX-RXMQYKEDSA-N
Compound name
(2R)-2-(furan-2-yl)-2-hydroxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

142.02661 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.03389 125.6
[M+Na]+ 165.01583 132.9
[M-H]- 141.01933 127.5
[M+NH4]+ 160.06043 145.8
[M+K]+ 180.98977 133.3
[M+H-H2O]+ 125.02387 120.9
[M+HCOO]- 187.02481 146.9
[M+CH3COO]- 201.04046 166.1
[M+Na-2H]- 163.00128 130.6
[M]+ 142.02606 125.6
[M]- 142.02716 125.6
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