CID 16494992

5-(1-pyrrolidinylmethyl)-2-furanmethanol

Structural Information

Molecular Formula
C10H15NO2
SMILES
C1CCN(C1)CC2=CC=C(O2)CO
InChI
InChI=1S/C10H15NO2/c12-8-10-4-3-9(13-10)7-11-5-1-2-6-11/h3-4,12H,1-2,5-8H2
InChIKey
POLAFJCRVYXYDM-UHFFFAOYSA-N
Compound name
[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

181.11028 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.11756 139.3
[M+Na]+ 204.09950 145.8
[M-H]- 180.10300 143.8
[M+NH4]+ 199.14410 159.3
[M+K]+ 220.07344 145.0
[M+H-H2O]+ 164.10754 133.2
[M+HCOO]- 226.10848 160.4
[M+CH3COO]- 240.12413 176.2
[M+Na-2H]- 202.08495 142.2
[M]+ 181.10973 138.2
[M]- 181.11083 138.2
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