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

0
Patents

233.14159 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 154.4
[M+Na]+ 256.13081 159.3
[M-H]- 232.13431 157.6
[M+NH4]+ 251.17541 170.0
[M+K]+ 272.10475 156.0
[M+H-H2O]+ 216.13885 146.7
[M+HCOO]- 278.13979 171.3
[M+CH3COO]- 292.15544 189.5
[M+Na-2H]- 254.11626 156.5
[M]+ 233.14104 150.2
[M]- 233.14214 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