CID 138040462

2243509-44-4

Structural Information

Molecular Formula
C8H9NO3
SMILES
COC(=O)C1=COC2=C1CNC2
InChI
InChI=1S/C8H9NO3/c1-11-8(10)6-4-12-7-3-9-2-5(6)7/h4,9H,2-3H2,1H3
InChIKey
WPDICZZDONUGMD-UHFFFAOYSA-N
Compound name
methyl 5,6-dihydro-4H-furo[2,3-c]pyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.05824 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 133.2
[M+Na]+ 190.04746 141.7
[M-H]- 166.05096 136.0
[M+NH4]+ 185.09206 155.0
[M+K]+ 206.02140 141.4
[M+H-H2O]+ 150.05550 128.3
[M+HCOO]- 212.05644 154.1
[M+CH3COO]- 226.07209 173.1
[M+Na-2H]- 188.03291 137.6
[M]+ 167.05769 134.2
[M]- 167.05879 134.2
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.