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]+ 178.06293 134.3
[M+Na]+ 200.04487 141.6
[M-H]- 176.04837 134.9
[M+NH4]+ 195.08947 155.2
[M+K]+ 216.01881 139.2
[M+H-H2O]+ 160.05291 130.3
[M+HCOO]- 222.05385 147.6
[M+CH3COO]- 236.06950 174.9
[M+Na-2H]- 198.03032 139.1
[M]+ 177.05510 131.9
[M]- 177.05620 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