CID 4739598

2-methyl-3-(piperidin-1-yl)propanoic 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]+ 172.133206 140.2
[M+Na]+ 194.115148 143.8
[M-H]- 170.118654 139.9
[M+NH4]+ 189.159753 158.0
[M+K]+ 210.089088 143.0
[M+H-H2O]+ 154.123190 133.8
[M+HCOO]- 216.124131 156.2
[M+CH3COO]- 230.139781 177.3
[M+Na-2H]- 192.100596 142.4
[M]+ 171.12538142 135.3
[M]- 171.12647858 135.3
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