CID 16740686

104704-31-6

Structural Information

Molecular Formula
C8H9NO
SMILES
C1CC(=NC1)C2=CC=CO2
InChI
InChI=1S/C8H9NO/c1-3-7(9-5-1)8-4-2-6-10-8/h2,4,6H,1,3,5H2
InChIKey
RSWIYWDWUHQXIZ-UHFFFAOYSA-N
Compound name
5-(furan-2-yl)-3,4-dihydro-2H-pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

135.06842 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.075696 124.7
[M+Na]+ 158.057638 132.7
[M-H]- 134.061144 130.8
[M+NH4]+ 153.102243 147.0
[M+K]+ 174.031578 132.7
[M+H-H2O]+ 118.065680 118.6
[M+HCOO]- 180.066621 149.1
[M+CH3COO]- 194.082271 139.6
[M+Na-2H]- 156.043086 130.7
[M]+ 135.06787142 124.3
[M]- 135.06896858 124.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe