CID 4739598

2-methyl-3-piperidin-1-ylpropanoic acid hydrochloride

Structural Information

Molecular Formula
C9H17NO2
SMILES
CC(CN1CCCCC1)C(=O)O
InChI
InChI=1S/C9H17NO2/c1-8(9(11)12)7-10-5-3-2-4-6-10/h8H,2-7H2,1H3,(H,11,12)
InChIKey
FNXJEHJSDJHSFC-UHFFFAOYSA-N
Compound name
2-methyl-3-piperidin-1-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

171.12593 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 140.0
[M+Na]+ 194.11515 148.8
[M+NH4]+ 189.15975 147.2
[M+K]+ 210.08909 144.4
[M-H]- 170.11865 139.7
[M+Na-2H]- 192.10060 143.1
[M]+ 171.12538 140.8
[M]- 171.12648 140.8
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