CID 22104579

4-methylpiperidine-4-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C7H13NO2
SMILES
CC1(CCNCC1)C(=O)O
InChI
InChI=1S/C7H13NO2/c1-7(6(9)10)2-4-8-5-3-7/h8H,2-5H2,1H3,(H,9,10)
InChIKey
YORPCQSBLZIBKP-UHFFFAOYSA-N
Compound name
4-methylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

481
Patents

143.09464 Da
Monoisotopic Mass

-2.1
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

No literature data available for this compound.

Patent stripe

patents stripe