CID 57307861

4-chloro-1-methylpiperidine-4-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C7H12ClNO2
SMILES
CN1CCC(CC1)(C(=O)O)Cl
InChI
InChI=1S/C7H12ClNO2/c1-9-4-2-7(8,3-5-9)6(10)11/h2-5H2,1H3,(H,10,11)
InChIKey
GKCWRGQRMSVAFU-UHFFFAOYSA-N
Compound name
4-chloro-1-methylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

177.05565 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.062926 134.3
[M+Na]+ 200.044868 141.6
[M-H]- 176.048374 134.9
[M+NH4]+ 195.089473 155.2
[M+K]+ 216.018808 139.2
[M+H-H2O]+ 160.052910 130.3
[M+HCOO]- 222.053851 147.6
[M+CH3COO]- 236.069501 174.9
[M+Na-2H]- 198.030316 139.1
[M]+ 177.05510142 131.9
[M]- 177.05619858 131.9
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