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]+ 184.16959 144.9
[M+Na]+ 206.15153 149.3
[M-H]- 182.15503 145.9
[M+NH4]+ 201.19613 163.4
[M+K]+ 222.12547 147.9
[M+H-H2O]+ 166.15957 138.2
[M+HCOO]- 228.16051 162.5
[M+CH3COO]- 242.17616 184.2
[M+Na-2H]- 204.13698 147.1
[M]+ 183.16176 142.2
[M]- 183.16286 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.