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]+ 174.11248 138.2
[M+Na]+ 196.09442 143.8
[M-H]- 172.09792 137.3
[M+NH4]+ 191.13902 157.6
[M+K]+ 212.06836 142.7
[M+H-H2O]+ 156.10246 133.2
[M+HCOO]- 218.10340 154.2
[M+CH3COO]- 232.11905 173.6
[M+Na-2H]- 194.07987 142.2
[M]+ 173.10465 133.9
[M]- 173.10575 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.