CID 14797109

3-furanpropanoic acid, alpha-amino-, hydrochloride, (s)-

Structural Information

Molecular Formula
C7H9NO3
SMILES
C1=COC=C1CC(C(=O)O)N
InChI
InChI=1S/C7H9NO3/c8-6(7(9)10)3-5-1-2-11-4-5/h1-2,4,6H,3,8H2,(H,9,10)
InChIKey
ZAFNLUPTKPOREL-UHFFFAOYSA-N
Compound name
2-amino-3-(furan-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

211
Patents

155.05824 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.06552 131.8
[M+Na]+ 178.04746 138.2
[M-H]- 154.05096 134.3
[M+NH4]+ 173.09206 151.6
[M+K]+ 194.02140 138.4
[M+H-H2O]+ 138.05550 126.3
[M+HCOO]- 200.05644 154.5
[M+CH3COO]- 214.07209 173.9
[M+Na-2H]- 176.03291 135.9
[M]+ 155.05769 130.8
[M]- 155.05879 130.8
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