CID 89037886

1-methyl-6-oxopiperidine-3-carbaldehyde

Structural Information

Molecular Formula
C7H11NO2
SMILES
CN1CC(CCC1=O)C=O
InChI
InChI=1S/C7H11NO2/c1-8-4-6(5-9)2-3-7(8)10/h5-6H,2-4H2,1H3
InChIKey
XCFGAKRICHLQHX-UHFFFAOYSA-N
Compound name
1-methyl-6-oxopiperidine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

141.07898 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.08626 127.3
[M+Na]+ 164.06820 134.9
[M-H]- 140.07170 129.4
[M+NH4]+ 159.11280 147.8
[M+K]+ 180.04214 134.0
[M+H-H2O]+ 124.07624 121.6
[M+HCOO]- 186.07718 147.7
[M+CH3COO]- 200.09283 173.5
[M+Na-2H]- 162.05365 132.3
[M]+ 141.07843 125.0
[M]- 141.07953 125.0
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