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]+ 170.081176 136.2
[M+Na]+ 192.063118 142.7
[M-H]- 168.066624 140.0
[M+NH4]+ 187.107723 156.3
[M+K]+ 208.037058 143.6
[M+H-H2O]+ 152.071160 130.4
[M+HCOO]- 214.072101 160.1
[M+CH3COO]- 228.087751 178.7
[M+Na-2H]- 190.048566 140.3
[M]+ 169.07335142 137.4
[M]- 169.07444858 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.