CID 12717446

4-(4-hydroxypiperidin-1-yl)benzaldehyde

Structural Information

Molecular Formula
C12H15NO2
SMILES
C1CN(CCC1O)C2=CC=C(C=C2)C=O
InChI
InChI=1S/C12H15NO2/c14-9-10-1-3-11(4-2-10)13-7-5-12(15)6-8-13/h1-4,9,12,15H,5-8H2
InChIKey
XORVVRSWELVXLH-UHFFFAOYSA-N
Compound name
4-(4-hydroxypiperidin-1-yl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

205.11028 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.117556 145.4
[M+Na]+ 228.099498 151.4
[M-H]- 204.103004 148.9
[M+NH4]+ 223.144103 162.1
[M+K]+ 244.073438 148.1
[M+H-H2O]+ 188.107540 137.9
[M+HCOO]- 250.108481 163.9
[M+CH3COO]- 264.124131 182.6
[M+Na-2H]- 226.084946 149.7
[M]+ 205.10973142 141.0
[M]- 205.11082858 141.0
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