CID 59261056

2-methyl-3-(piperidin-4-yl)propanoic acid hydrochloride

Structural Information

Molecular Formula
C9H17NO2
SMILES
CC(CC1CCNCC1)C(=O)O
InChI
InChI=1S/C9H17NO2/c1-7(9(11)12)6-8-2-4-10-5-3-8/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKey
MVFMEHOBPSVMRI-UHFFFAOYSA-N
Compound name
2-methyl-3-piperidin-4-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

171.12593 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.133206 141.0
[M+Na]+ 194.115148 144.2
[M-H]- 170.118654 139.2
[M+NH4]+ 189.159753 158.0
[M+K]+ 210.089088 142.4
[M+H-H2O]+ 154.123190 134.9
[M+HCOO]- 216.124131 155.5
[M+CH3COO]- 230.139781 174.7
[M+Na-2H]- 192.100596 142.7
[M]+ 171.12538142 134.2
[M]- 171.12647858 134.2
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