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

9
Patents

137.08406 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.091336 127.3
[M+Na]+ 160.073278 133.9
[M-H]- 136.076784 131.7
[M+NH4]+ 155.117883 148.8
[M+K]+ 176.047218 133.1
[M+H-H2O]+ 120.081320 121.3
[M+HCOO]- 182.082261 148.8
[M+CH3COO]- 196.097911 141.0
[M+Na-2H]- 158.058726 131.9
[M]+ 137.08351142 123.7
[M]- 137.08460858 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