CID 18546098

2770358-61-5

Structural Information

Molecular Formula
C7H9NO3
SMILES
COC(=O)C(C1=COC=C1)N
InChI
InChI=1S/C7H9NO3/c1-10-7(9)6(8)5-2-3-11-4-5/h2-4,6H,8H2,1H3
InChIKey
GANHVIBOMQZCLN-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-(furan-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

155.05824 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.065516 131.4
[M+Na]+ 178.047458 138.4
[M-H]- 154.050964 135.4
[M+NH4]+ 173.092063 152.1
[M+K]+ 194.021398 139.5
[M+H-H2O]+ 138.055500 125.8
[M+HCOO]- 200.056441 155.6
[M+CH3COO]- 214.072091 175.7
[M+Na-2H]- 176.032906 136.1
[M]+ 155.05769142 132.3
[M]- 155.05878858 132.3
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