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

56
Patents

200.11609 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.12337 144.9
[M+Na]+ 223.10531 152.6
[M+NH4]+ 218.14991 150.9
[M+K]+ 239.07925 149.8
[M-H]- 199.10881 144.5
[M+Na-2H]- 221.09076 147.2
[M]+ 200.11554 145.3
[M]- 200.11664 145.3
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