CID 16795673

1-(5-methylpyridin-2-yl)piperidine-4-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C12H16N2O2
SMILES
CC1=CN=C(C=C1)N2CCC(CC2)C(=O)O
InChI
InChI=1S/C12H16N2O2/c1-9-2-3-11(13-8-9)14-6-4-10(5-7-14)12(15)16/h2-3,8,10H,4-7H2,1H3,(H,15,16)
InChIKey
QUAOLILOJUFFCQ-UHFFFAOYSA-N
Compound name
1-(5-methylpyridin-2-yl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

220.12119 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12847 150.3
[M+Na]+ 243.11041 156.1
[M-H]- 219.11391 152.4
[M+NH4]+ 238.15501 164.9
[M+K]+ 259.08435 153.0
[M+H-H2O]+ 203.11845 141.9
[M+HCOO]- 265.11939 166.5
[M+CH3COO]- 279.13504 186.2
[M+Na-2H]- 241.09586 153.4
[M]+ 220.12064 145.8
[M]- 220.12174 145.8
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