CID 83854511

3-fluoro-1-methylpiperidine-4-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C7H12FNO2
SMILES
CN1CCC(C(C1)F)C(=O)O
InChI
InChI=1S/C7H12FNO2/c1-9-3-2-5(7(10)11)6(8)4-9/h5-6H,2-4H2,1H3,(H,10,11)
InChIKey
BENDRIZGZUQVEQ-UHFFFAOYSA-N
Compound name
3-fluoro-1-methylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

161.0852 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09248 132.6
[M+Na]+ 184.07442 139.2
[M-H]- 160.07792 131.9
[M+NH4]+ 179.11902 151.4
[M+K]+ 200.04836 138.0
[M+H-H2O]+ 144.08246 126.1
[M+HCOO]- 206.08340 149.2
[M+CH3COO]- 220.09905 175.4
[M+Na-2H]- 182.05987 135.2
[M]+ 161.08465 127.2
[M]- 161.08575 127.2
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