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

35
Patents

155.09464 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 132.8
[M+Na]+ 178.08386 138.9
[M-H]- 154.08736 134.5
[M+NH4]+ 173.12846 152.4
[M+K]+ 194.05780 138.2
[M+H-H2O]+ 138.09190 126.7
[M+HCOO]- 200.09284 152.0
[M+CH3COO]- 214.10849 175.6
[M+Na-2H]- 176.06931 136.8
[M]+ 155.09409 129.8
[M]- 155.09519 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