CID 3675988

2-(furan-2-yl)pyrrolidine

Structural Information

Molecular Formula
C8H11NO
SMILES
C1CC(NC1)C2=CC=CO2
InChI
InChI=1S/C8H11NO/c1-3-7(9-5-1)8-4-2-6-10-8/h2,4,6-7,9H,1,3,5H2
InChIKey
LIFJPSLQRGQNMM-UHFFFAOYSA-N
Compound name
2-(furan-2-yl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

62
Patents

137.08406 Da
Monoisotopic Mass

0.9
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

literature stripe

Patent stripe

patents stripe