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 144.6
[M+Na]+ 223.10531 148.8
[M-H]- 199.10881 146.2
[M+NH4]+ 218.14991 161.8
[M+K]+ 239.07925 149.3
[M+H-H2O]+ 183.11335 137.9
[M+HCOO]- 245.11429 162.6
[M+CH3COO]- 259.12994 186.9
[M+Na-2H]- 221.09076 145.9
[M]+ 200.11554 141.2
[M]- 200.11664 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