CID 43403302

[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]methanol

Structural Information

Molecular Formula
C12H17NO3
SMILES
CC1=CC=C(O1)C(=O)N2CCCC(C2)CO
InChI
InChI=1S/C12H17NO3/c1-9-4-5-11(16-9)12(15)13-6-2-3-10(7-13)8-14/h4-5,10,14H,2-3,6-8H2,1H3
InChIKey
TYULYZKVMPRXBK-UHFFFAOYSA-N
Compound name
[3-(hydroxymethyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.12085 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.12813 150.7
[M+Na]+ 246.11007 156.4
[M-H]- 222.11357 154.9
[M+NH4]+ 241.15467 167.3
[M+K]+ 262.08401 155.2
[M+H-H2O]+ 206.11811 143.9
[M+HCOO]- 268.11905 168.3
[M+CH3COO]- 282.13470 184.8
[M+Na-2H]- 244.09552 152.1
[M]+ 223.12030 148.5
[M]- 223.12140 148.5
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.