CID 123557875

1-methyl-2-oxopiperidine-4-carbaldehyde

Structural Information

Molecular Formula
C7H11NO2
SMILES
CN1CCC(CC1=O)C=O
InChI
InChI=1S/C7H11NO2/c1-8-3-2-6(5-9)4-7(8)10/h5-6H,2-4H2,1H3
InChIKey
RFHLMCGIOWOGCU-UHFFFAOYSA-N
Compound name
1-methyl-2-oxopiperidine-4-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]+ 142.086256 127.3
[M+Na]+ 164.068198 134.9
[M-H]- 140.071704 129.4
[M+NH4]+ 159.112803 147.8
[M+K]+ 180.042138 134.0
[M+H-H2O]+ 124.076240 121.6
[M+HCOO]- 186.077181 147.7
[M+CH3COO]- 200.092831 173.5
[M+Na-2H]- 162.053646 132.3
[M]+ 141.07843142 125.0
[M]- 141.07952858 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