CID 11040913

4066-39-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

385
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

literature stripe

Patent stripe

patents stripe