CID 63125026

1-benzyl-4-methylpiperidine-4-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C14H19NO2
SMILES
CC1(CCN(CC1)CC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C14H19NO2/c1-14(13(16)17)7-9-15(10-8-14)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,16,17)
InChIKey
KOPVBCTUKHBHBV-UHFFFAOYSA-N
Compound name
1-benzyl-4-methylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

49
Patents

233.14159 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 154.9
[M+Na]+ 256.13081 159.8
[M-H]- 232.13431 158.1
[M+NH4]+ 251.17541 172.2
[M+K]+ 272.10475 156.8
[M+H-H2O]+ 216.13885 147.5
[M+HCOO]- 278.13979 171.8
[M+CH3COO]- 292.15544 187.8
[M+Na-2H]- 254.11626 158.7
[M]+ 233.14104 150.6
[M]- 233.14214 150.6
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