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

38
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

literature stripe

Patent stripe

patents stripe