CID 5076474

1-(dimethylcarbamoyl)piperidine-4-carboxylic acid

Structural Information

Molecular Formula
C9H16N2O3
SMILES
CN(C)C(=O)N1CCC(CC1)C(=O)O
InChI
InChI=1S/C9H16N2O3/c1-10(2)9(14)11-5-3-7(4-6-11)8(12)13/h7H,3-6H2,1-2H3,(H,12,13)
InChIKey
FRBBOXGMTKVHBW-UHFFFAOYSA-N
Compound name
1-(dimethylcarbamoyl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

200.11609 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.123366 144.6
[M+Na]+ 223.105308 148.8
[M-H]- 199.108814 146.2
[M+NH4]+ 218.149913 161.8
[M+K]+ 239.079248 149.3
[M+H-H2O]+ 183.113350 137.9
[M+HCOO]- 245.114291 162.6
[M+CH3COO]- 259.129941 186.9
[M+Na-2H]- 221.090756 145.9
[M]+ 200.11554142 141.2
[M]- 200.11663858 141.2
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