CID 504251

Dl-2-furanserine

Structural Information

Molecular Formula
C7H9NO4
SMILES
C1=COC(=C1)N[C@@H](CO)C(=O)O
InChI
InChI=1S/C7H9NO4/c9-4-5(7(10)11)8-6-2-1-3-12-6/h1-3,5,8-9H,4H2,(H,10,11)/t5-/m0/s1
InChIKey
JJRNTGNTJHYEHG-YFKPBYRVSA-N
Compound name
(2S)-2-(furan-2-ylamino)-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

171.05316 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.06044 134.4
[M+Na]+ 194.04238 140.2
[M-H]- 170.04588 136.0
[M+NH4]+ 189.08698 153.0
[M+K]+ 210.01632 140.4
[M+H-H2O]+ 154.05042 128.8
[M+HCOO]- 216.05136 156.4
[M+CH3COO]- 230.06701 174.2
[M+Na-2H]- 192.02783 139.1
[M]+ 171.05261 134.0
[M]- 171.05371 134.0
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