CID 6537488

5-(hydroxymethyl-2-furoyl)glycine

Structural Information

Molecular Formula
C8H9NO5
SMILES
C1=C(OC(=C1)C(=O)NCC(=O)O)CO
InChI
InChI=1S/C8H9NO5/c10-4-5-1-2-6(14-5)8(13)9-3-7(11)12/h1-2,10H,3-4H2,(H,9,13)(H,11,12)
InChIKey
HBULKUDERNWOBN-UHFFFAOYSA-N
Compound name
2-[[5-(hydroxymethyl)furan-2-carbonyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

199.04807 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.055346 140.2
[M+Na]+ 222.037288 146.7
[M-H]- 198.040794 142.0
[M+NH4]+ 217.081893 157.8
[M+K]+ 238.011228 146.6
[M+H-H2O]+ 182.045330 134.6
[M+HCOO]- 244.046271 162.2
[M+CH3COO]- 258.061921 179.2
[M+Na-2H]- 220.022736 143.8
[M]+ 199.04752142 141.2
[M]- 199.04861858 141.2
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