CID 16794986

1-(2-methylbutanoyl)piperidine-3-carboxylic acid

Structural Information

Molecular Formula
C11H19NO3
SMILES
CCC(C)C(=O)N1CCCC(C1)C(=O)O
InChI
InChI=1S/C11H19NO3/c1-3-8(2)10(13)12-6-4-5-9(7-12)11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKey
BGYPWZQLAHUGGX-UHFFFAOYSA-N
Compound name
1-(2-methylbutanoyl)piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 149.9
[M+Na]+ 236.12571 153.7
[M-H]- 212.12921 149.8
[M+NH4]+ 231.17031 166.2
[M+K]+ 252.09965 152.8
[M+H-H2O]+ 196.13375 143.6
[M+HCOO]- 258.13469 164.7
[M+CH3COO]- 272.15034 186.0
[M+Na-2H]- 234.11116 149.3
[M]+ 213.13594 146.3
[M]- 213.13704 146.3
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

No patent data available for this compound.