CID 19965467

2-methyl-2-(piperidin-1-yl)propanoic acid hydrochloride

Structural Information

Molecular Formula
C9H17NO2
SMILES
CC(C)(C(=O)O)N1CCCCC1
InChI
InChI=1S/C9H17NO2/c1-9(2,8(11)12)10-6-4-3-5-7-10/h3-7H2,1-2H3,(H,11,12)
InChIKey
HGQPYEFYBJOTTF-UHFFFAOYSA-N
Compound name
2-methyl-2-piperidin-1-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

171.12593 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 139.6
[M+Na]+ 194.11515 143.9
[M-H]- 170.11865 139.5
[M+NH4]+ 189.15975 157.6
[M+K]+ 210.08909 143.1
[M+H-H2O]+ 154.12319 133.9
[M+HCOO]- 216.12413 155.1
[M+CH3COO]- 230.13978 176.7
[M+Na-2H]- 192.10060 143.9
[M]+ 171.12538 134.9
[M]- 171.12648 134.9
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