CID 566731

2-methylpiperidine-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C7H13NO2
SMILES
CC1(CCCCN1)C(=O)O
InChI
InChI=1S/C7H13NO2/c1-7(6(9)10)4-2-3-5-8-7/h8H,2-5H2,1H3,(H,9,10)
InChIKey
GLNOAERYNWZGJY-UHFFFAOYSA-N
Compound name
2-methylpiperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

144
Patents

143.09464 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.101916 131.8
[M+Na]+ 166.083858 137.0
[M-H]- 142.087364 130.7
[M+NH4]+ 161.128463 152.1
[M+K]+ 182.057798 135.6
[M+H-H2O]+ 126.091900 126.9
[M+HCOO]- 188.092841 148.0
[M+CH3COO]- 202.108491 167.3
[M+Na-2H]- 164.069306 136.9
[M]+ 143.09409142 125.3
[M]- 143.09518858 125.3
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