CID 25247731

1-methyl-6-oxopiperidine-3-carboxylic acid

Structural Information

Molecular Formula
C7H11NO3
SMILES
CN1CC(CCC1=O)C(=O)O
InChI
InChI=1S/C7H11NO3/c1-8-4-5(7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,10,11)
InChIKey
FMLCUICPLLRLEU-UHFFFAOYSA-N
Compound name
1-methyl-6-oxopiperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

157.0739 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.08118 131.1
[M+Na]+ 180.06312 138.0
[M-H]- 156.06662 131.9
[M+NH4]+ 175.10772 150.1
[M+K]+ 196.03706 137.1
[M+H-H2O]+ 140.07116 125.6
[M+HCOO]- 202.07210 149.3
[M+CH3COO]- 216.08775 173.9
[M+Na-2H]- 178.04857 134.4
[M]+ 157.07335 127.8
[M]- 157.07445 127.8
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