CID 3768984

1-furfurylpyrrolidine

Structural Information

Molecular Formula
C9H13NO
SMILES
C1CCN(C1)CC2=CC=CO2
InChI
InChI=1S/C9H13NO/c1-2-6-10(5-1)8-9-4-3-7-11-9/h3-4,7H,1-2,5-6,8H2
InChIKey
OTCUCAGXTNHLEI-UHFFFAOYSA-N
Compound name
1-(furan-2-ylmethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

41
Patents

151.09972 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 131.4
[M+Na]+ 174.08894 137.9
[M-H]- 150.09244 137.0
[M+NH4]+ 169.13354 153.0
[M+K]+ 190.06288 137.9
[M+H-H2O]+ 134.09698 125.0
[M+HCOO]- 196.09792 154.1
[M+CH3COO]- 210.11357 145.3
[M+Na-2H]- 172.07439 135.8
[M]+ 151.09917 130.0
[M]- 151.10027 130.0
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