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

40
Patents

171.12593 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.133206 139.6
[M+Na]+ 194.115148 143.9
[M-H]- 170.118654 139.5
[M+NH4]+ 189.159753 157.6
[M+K]+ 210.089088 143.1
[M+H-H2O]+ 154.123190 133.9
[M+HCOO]- 216.124131 155.1
[M+CH3COO]- 230.139781 176.7
[M+Na-2H]- 192.100596 143.9
[M]+ 171.12538142 134.9
[M]- 171.12647858 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