CID 19010451

3-methyl-2-(piperidin-1-yl)butanoic acid hydrochloride

Structural Information

Molecular Formula
C10H19NO2
SMILES
CC(C)C(C(=O)O)N1CCCCC1
InChI
InChI=1S/C10H19NO2/c1-8(2)9(10(12)13)11-6-4-3-5-7-11/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKey
MATCBYZVZBSHKR-UHFFFAOYSA-N
Compound name
3-methyl-2-piperidin-1-ylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

185.14159 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.148866 144.6
[M+Na]+ 208.130808 147.6
[M-H]- 184.134314 144.2
[M+NH4]+ 203.175413 161.8
[M+K]+ 224.104748 147.0
[M+H-H2O]+ 168.138850 138.2
[M+HCOO]- 230.139791 159.3
[M+CH3COO]- 244.155441 181.2
[M+Na-2H]- 206.116256 145.1
[M]+ 185.14104142 139.5
[M]- 185.14213858 139.5
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