CID 11840929

4-piperidin-4-ylbutanal

Structural Information

Molecular Formula
C9H17NO
SMILES
C1CNCCC1CCCC=O
InChI
InChI=1S/C9H17NO/c11-8-2-1-3-9-4-6-10-7-5-9/h8-10H,1-7H2
InChIKey
HADYAKDSDIXWOF-UHFFFAOYSA-N
Compound name
4-piperidin-4-ylbutanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

155.13101 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.13829 136.8
[M+Na]+ 178.12023 140.9
[M-H]- 154.12373 136.3
[M+NH4]+ 173.16483 155.4
[M+K]+ 194.09417 138.7
[M+H-H2O]+ 138.12827 130.4
[M+HCOO]- 200.12921 154.6
[M+CH3COO]- 214.14486 173.6
[M+Na-2H]- 176.10568 141.5
[M]+ 155.13046 131.7
[M]- 155.13156 131.7
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.