CID 80503158

2-(3-hydroxy-1-methylpiperidin-3-yl)acetic acid hydrochloride

Structural Information

Molecular Formula
C8H15NO3
SMILES
CN1CCCC(C1)(CC(=O)O)O
InChI
InChI=1S/C8H15NO3/c1-9-4-2-3-8(12,6-9)5-7(10)11/h12H,2-6H2,1H3,(H,10,11)
InChIKey
FWOVYNFWJBGWPS-UHFFFAOYSA-N
Compound name
2-(3-hydroxy-1-methylpiperidin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.1052 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.112476 138.2
[M+Na]+ 196.094418 143.8
[M-H]- 172.097924 137.3
[M+NH4]+ 191.139023 157.6
[M+K]+ 212.068358 142.7
[M+H-H2O]+ 156.102460 133.2
[M+HCOO]- 218.103401 154.2
[M+CH3COO]- 232.119051 173.6
[M+Na-2H]- 194.079866 142.2
[M]+ 173.10465142 133.9
[M]- 173.10574858 133.9
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

No patent data available for this compound.