CID 64147090

2377032-76-1

Structural Information

Molecular Formula
C8H11NO3
SMILES
COC(=O)C(CC1=COC=C1)N
InChI
InChI=1S/C8H11NO3/c1-11-8(10)7(9)4-6-2-3-12-5-6/h2-3,5,7H,4,9H2,1H3
InChIKey
CMACEADSSAVSRW-UHFFFAOYSA-N
Compound name
methyl 2-amino-3-(furan-3-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.0739 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.08118 136.2
[M+Na]+ 192.06312 142.7
[M-H]- 168.06662 140.0
[M+NH4]+ 187.10772 156.3
[M+K]+ 208.03706 143.6
[M+H-H2O]+ 152.07116 130.4
[M+HCOO]- 214.07210 160.1
[M+CH3COO]- 228.08775 178.7
[M+Na-2H]- 190.04857 140.3
[M]+ 169.07335 137.4
[M]- 169.07445 137.4
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

No patent data available for this compound.