CID 80098853

1-(pentan-3-yl)piperidine-4-carbaldehyde

Structural Information

Molecular Formula
C11H21NO
SMILES
CCC(CC)N1CCC(CC1)C=O
InChI
InChI=1S/C11H21NO/c1-3-11(4-2)12-7-5-10(9-13)6-8-12/h9-11H,3-8H2,1-2H3
InChIKey
FUDINSAPXPWWGJ-UHFFFAOYSA-N
Compound name
1-pentan-3-ylpiperidine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.16231 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.169586 144.9
[M+Na]+ 206.151528 149.3
[M-H]- 182.155034 145.9
[M+NH4]+ 201.196133 163.4
[M+K]+ 222.125468 147.9
[M+H-H2O]+ 166.159570 138.2
[M+HCOO]- 228.160511 162.5
[M+CH3COO]- 242.176161 184.2
[M+Na-2H]- 204.136976 147.1
[M]+ 183.16176142 142.2
[M]- 183.16285858 142.2
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.