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]+ 172.060436 134.4
[M+Na]+ 194.042378 140.2
[M-H]- 170.045884 136.0
[M+NH4]+ 189.086983 153.0
[M+K]+ 210.016318 140.4
[M+H-H2O]+ 154.050420 128.8
[M+HCOO]- 216.051361 156.4
[M+CH3COO]- 230.067011 174.2
[M+Na-2H]- 192.027826 139.1
[M]+ 171.05261142 134.0
[M]- 171.05370858 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