CID 66887915

2-methyl-2-(1-methylpiperidin-3-yl)propanoic acid hydrochloride

Structural Information

Molecular Formula
C10H19NO2
SMILES
CC(C)(C1CCCN(C1)C)C(=O)O
InChI
InChI=1S/C10H19NO2/c1-10(2,9(12)13)8-5-4-6-11(3)7-8/h8H,4-7H2,1-3H3,(H,12,13)
InChIKey
BCFRGOUORUEDAJ-UHFFFAOYSA-N
Compound name
2-methyl-2-(1-methylpiperidin-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

185.14159 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.14887 143.5
[M+Na]+ 208.13081 148.3
[M-H]- 184.13431 143.6
[M+NH4]+ 203.17541 161.3
[M+K]+ 224.10475 147.2
[M+H-H2O]+ 168.13885 137.9
[M+HCOO]- 230.13979 158.6
[M+CH3COO]- 244.15544 180.9
[M+Na-2H]- 206.11626 146.6
[M]+ 185.14104 139.6
[M]- 185.14214 139.6
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