CID 14043896

1-acetylpiperidine-3-carboxylic acid

Structural Information

Molecular Formula
C8H13NO3
SMILES
CC(=O)N1CCCC(C1)C(=O)O
InChI
InChI=1S/C8H13NO3/c1-6(10)9-4-2-3-7(5-9)8(11)12/h7H,2-5H2,1H3,(H,11,12)
InChIKey
ODPIDTOGVIDBLN-UHFFFAOYSA-N
Compound name
1-acetylpiperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

119
Patents

171.08954 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09682 137.4
[M+Na]+ 194.07876 146.3
[M+NH4]+ 189.12336 143.9
[M+K]+ 210.05270 142.8
[M-H]- 170.08226 136.4
[M+Na-2H]- 192.06421 140.0
[M]+ 171.08899 137.9
[M]- 171.09009 137.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe