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

21
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 149.2
[M+Na]+ 236.12571 153.8
[M-H]- 212.12921 149.4
[M+NH4]+ 231.17031 165.9
[M+K]+ 252.09965 153.0
[M+H-H2O]+ 196.13375 143.6
[M+HCOO]- 258.13469 163.5
[M+CH3COO]- 272.15034 184.7
[M+Na-2H]- 234.11116 150.8
[M]+ 213.13594 145.7
[M]- 213.13704 145.7
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