CID 154856625

2470440-53-8

Structural Information

Molecular Formula
C9H13NO4
SMILES
CC(CO)(C1=CC=C(O1)C(=O)OC)N
InChI
InChI=1S/C9H13NO4/c1-9(10,5-11)7-4-3-6(14-7)8(12)13-2/h3-4,11H,5,10H2,1-2H3
InChIKey
SUHFHQYFOVJMEH-UHFFFAOYSA-N
Compound name
methyl 5-(2-amino-1-hydroxypropan-2-yl)furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.08446 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.09174 142.2
[M+Na]+ 222.07368 149.4
[M-H]- 198.07718 145.1
[M+NH4]+ 217.11828 160.8
[M+K]+ 238.04762 149.6
[M+H-H2O]+ 182.08172 137.2
[M+HCOO]- 244.08266 163.9
[M+CH3COO]- 258.09831 182.1
[M+Na-2H]- 220.05913 147.0
[M]+ 199.08391 143.9
[M]- 199.08501 143.9
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.