CID 7033630

Methyl (2s)-2-[(furan-2-yl)formamido]propanoate

Structural Information

Molecular Formula
C9H11NO4
SMILES
C[C@@H](C(=O)OC)NC(=O)C1=CC=CO1
InChI
InChI=1S/C9H11NO4/c1-6(9(12)13-2)10-8(11)7-4-3-5-14-7/h3-6H,1-2H3,(H,10,11)/t6-/m0/s1
InChIKey
WNQAJUYLFLETEV-LURJTMIESA-N
Compound name
methyl (2S)-2-(furan-2-carbonylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

197.0688 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.07608 142.7
[M+Na]+ 220.05802 148.8
[M-H]- 196.06152 147.0
[M+NH4]+ 215.10262 161.7
[M+K]+ 236.03196 150.2
[M+H-H2O]+ 180.06606 136.7
[M+HCOO]- 242.06700 166.3
[M+CH3COO]- 256.08265 183.9
[M+Na-2H]- 218.04347 146.1
[M]+ 197.06825 145.3
[M]- 197.06935 145.3
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