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

2
Patents

149.08406 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 131.5
[M+Na]+ 172.07328 137.9
[M-H]- 148.07678 135.7
[M+NH4]+ 167.11788 152.4
[M+K]+ 188.04722 136.3
[M+H-H2O]+ 132.08132 125.4
[M+HCOO]- 194.08226 152.8
[M+CH3COO]- 208.09791 144.8
[M+Na-2H]- 170.05873 135.4
[M]+ 149.08351 127.4
[M]- 149.08461 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