CID 63207902

3-(furan-3-yl)pyrrolidine

Structural Information

Molecular Formula
C8H11NO
SMILES
C1CNCC1C2=COC=C2
InChI
InChI=1S/C8H11NO/c1-3-9-5-7(1)8-2-4-10-6-8/h2,4,6-7,9H,1,3,5H2
InChIKey
PDSIHZMGHLAXCG-UHFFFAOYSA-N
Compound name
3-(furan-3-yl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

137.08406 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 127.3
[M+Na]+ 160.07328 133.9
[M-H]- 136.07678 131.7
[M+NH4]+ 155.11788 148.8
[M+K]+ 176.04722 133.1
[M+H-H2O]+ 120.08132 121.3
[M+HCOO]- 182.08226 148.8
[M+CH3COO]- 196.09791 141.0
[M+Na-2H]- 158.05873 131.9
[M]+ 137.08351 123.7
[M]- 137.08461 123.7
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