CID 4675750

1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C14H19NO2
SMILES
CC1=CC(=CC=C1)CN2CCCCC2C(=O)O
InChI
InChI=1S/C14H19NO2/c1-11-5-4-6-12(9-11)10-15-8-3-2-7-13(15)14(16)17/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,16,17)
InChIKey
RMXUHTDULIZIDH-UHFFFAOYSA-N
Compound name
1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

233.14159 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.148866 154.4
[M+Na]+ 256.130808 159.3
[M-H]- 232.134314 157.6
[M+NH4]+ 251.175413 170.0
[M+K]+ 272.104748 156.0
[M+H-H2O]+ 216.138850 146.7
[M+HCOO]- 278.139791 171.3
[M+CH3COO]- 292.155441 189.5
[M+Na-2H]- 254.116256 156.5
[M]+ 233.14104142 150.2
[M]- 233.14213858 150.2
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