CID 54038629

1-acetylpiperidine-3-carbaldehyde

Structural Information

Molecular Formula
C8H13NO2
SMILES
CC(=O)N1CCCC(C1)C=O
InChI
InChI=1S/C8H13NO2/c1-7(11)9-4-2-3-8(5-9)6-10/h6,8H,2-5H2,1H3
InChIKey
SYUMWXVBQIRTKG-UHFFFAOYSA-N
Compound name
1-acetylpiperidine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

155.09464 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.101916 132.8
[M+Na]+ 178.083858 138.9
[M-H]- 154.087364 134.5
[M+NH4]+ 173.128463 152.4
[M+K]+ 194.057798 138.2
[M+H-H2O]+ 138.091900 126.7
[M+HCOO]- 200.092841 152.0
[M+CH3COO]- 214.108491 175.6
[M+Na-2H]- 176.069306 136.8
[M]+ 155.09409142 129.8
[M]- 155.09518858 129.8
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

patents stripe