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

11
Patents

171.12593 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 141.0
[M+Na]+ 194.11515 144.2
[M-H]- 170.11865 139.2
[M+NH4]+ 189.15975 158.0
[M+K]+ 210.08909 142.4
[M+H-H2O]+ 154.12319 134.9
[M+HCOO]- 216.12413 155.5
[M+CH3COO]- 230.13978 174.7
[M+Na-2H]- 192.10060 142.7
[M]+ 171.12538 134.2
[M]- 171.12648 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