CID 110659

5444-16-6

Structural Information

Molecular Formula
C7H9NO4
SMILES
C1=COC(=C1)C(C(C(=O)O)N)O
InChI
InChI=1S/C7H9NO4/c8-5(7(10)11)6(9)4-2-1-3-12-4/h1-3,5-6,9H,8H2,(H,10,11)
InChIKey
TXEGTYSYGFFYBY-UHFFFAOYSA-N
Compound name
2-amino-3-(furan-2-yl)-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

171.05316 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.060436 135.6
[M+Na]+ 194.042378 141.1
[M-H]- 170.045884 136.7
[M+NH4]+ 189.086983 153.8
[M+K]+ 210.016318 141.5
[M+H-H2O]+ 154.050420 130.0
[M+HCOO]- 216.051361 155.9
[M+CH3COO]- 230.067011 174.6
[M+Na-2H]- 192.027826 137.9
[M]+ 171.05261142 133.5
[M]- 171.05370858 133.5
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