CID 16228559

1-(2,2-dimethylpropanoyl)piperidine-3-carboxylic acid

Structural Information

Molecular Formula
C11H19NO3
SMILES
CC(C)(C)C(=O)N1CCCC(C1)C(=O)O
InChI
InChI=1S/C11H19NO3/c1-11(2,3)10(15)12-6-4-5-8(7-12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)
InChIKey
UPRYOSPWSCDFEL-UHFFFAOYSA-N
Compound name
1-(2,2-dimethylpropanoyl)piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

213.13649 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.14377 149.4
[M+Na]+ 236.12571 157.5
[M+NH4]+ 231.17031 155.3
[M+K]+ 252.09965 154.7
[M-H]- 212.12921 147.8
[M+Na-2H]- 234.11116 151.3
[M]+ 213.13594 149.7
[M]- 213.13704 149.7
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