CID 115382

3-(2-methylpiperidin-1-yl)propyl furan-2-carboxylate

Structural Information

Molecular Formula
C14H21NO3
SMILES
CC1CCCCN1CCCOC(=O)C2=CC=CO2
InChI
InChI=1S/C14H21NO3/c1-12-6-2-3-8-15(12)9-5-11-18-14(16)13-7-4-10-17-13/h4,7,10,12H,2-3,5-6,8-9,11H2,1H3
InChIKey
BUEGMKXWTLQONM-UHFFFAOYSA-N
Compound name
3-(2-methylpiperidin-1-yl)propyl furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.15215 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15943 159.6
[M+Na]+ 274.14137 163.9
[M-H]- 250.14487 164.4
[M+NH4]+ 269.18597 175.4
[M+K]+ 290.11531 163.2
[M+H-H2O]+ 234.14941 151.8
[M+HCOO]- 296.15035 178.0
[M+CH3COO]- 310.16600 192.2
[M+Na-2H]- 272.12682 161.0
[M]+ 251.15160 159.5
[M]- 251.15270 159.5
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

No patent data available for this compound.