CID 55178724

1-(4-chloro-2-cyanophenyl)-4-methylpiperidine-4-carboxylic acid

Structural Information

Molecular Formula
C14H15ClN2O2
SMILES
CC1(CCN(CC1)C2=C(C=C(C=C2)Cl)C#N)C(=O)O
InChI
InChI=1S/C14H15ClN2O2/c1-14(13(18)19)4-6-17(7-5-14)12-3-2-11(15)8-10(12)9-16/h2-3,8H,4-7H2,1H3,(H,18,19)
InChIKey
QZCCRRUGFGJEHA-UHFFFAOYSA-N
Compound name
1-(4-chloro-2-cyanophenyl)-4-methylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.0822 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.089476 161.4
[M+Na]+ 301.071418 171.7
[M-H]- 277.074924 164.5
[M+NH4]+ 296.116023 176.6
[M+K]+ 317.045358 164.7
[M+H-H2O]+ 261.079460 149.1
[M+HCOO]- 323.080401 171.4
[M+CH3COO]- 337.096051 205.9
[M+Na-2H]- 299.056866 163.5
[M]+ 278.08165142 155.1
[M]- 278.08274858 155.1
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

No patent data available for this compound.