CID 91748326

3-furfurylidenepyrrolidine

Structural Information

Molecular Formula
C9H11NO
SMILES
C\1CNC/C1=C\C2=CC=CO2
InChI
InChI=1S/C9H11NO/c1-2-9(11-5-1)6-8-3-4-10-7-8/h1-2,5-6,10H,3-4,7H2/b8-6-
InChIKey
PNXWYJGINUMYJQ-VURMDHGXSA-N
Compound name
(3Z)-3-(furan-2-ylmethylidene)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.08406 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.091336 131.5
[M+Na]+ 172.073278 137.9
[M-H]- 148.076784 135.7
[M+NH4]+ 167.117883 152.4
[M+K]+ 188.047218 136.3
[M+H-H2O]+ 132.081320 125.4
[M+HCOO]- 194.082261 152.8
[M+CH3COO]- 208.097911 144.8
[M+Na-2H]- 170.058726 135.4
[M]+ 149.08351142 127.4
[M]- 149.08460858 127.4
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