CID 18419695

3-methylpiperidine-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C7H13NO2
SMILES
CC1(CCCNC1)C(=O)O
InChI
InChI=1S/C7H13NO2/c1-7(6(9)10)3-2-4-8-5-7/h8H,2-5H2,1H3,(H,9,10)
InChIKey
DEMOKNSWMVAJPZ-UHFFFAOYSA-N
Compound name
3-methylpiperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

143.09464 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 132.0
[M+Na]+ 166.08386 141.2
[M+NH4]+ 161.12846 140.8
[M+K]+ 182.05780 135.0
[M-H]- 142.08736 131.5
[M+Na-2H]- 164.06931 137.0
[M]+ 143.09409 133.0
[M]- 143.09519 133.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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