CID 57097192

3-[(1-methylpiperidin-4-yl)oxy]propanoic acid hydrochloride

Structural Information

Molecular Formula
C9H17NO3
SMILES
CN1CCC(CC1)OCCC(=O)O
InChI
InChI=1S/C9H17NO3/c1-10-5-2-8(3-6-10)13-7-4-9(11)12/h8H,2-7H2,1H3,(H,11,12)
InChIKey
NSUQLISXZTYDCR-UHFFFAOYSA-N
Compound name
3-(1-methylpiperidin-4-yl)oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

187.12085 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.128126 142.4
[M+Na]+ 210.110068 147.1
[M-H]- 186.113574 142.3
[M+NH4]+ 205.154673 159.8
[M+K]+ 226.084008 146.3
[M+H-H2O]+ 170.118110 135.9
[M+HCOO]- 232.119051 159.6
[M+CH3COO]- 246.134701 179.6
[M+Na-2H]- 208.095516 145.2
[M]+ 187.12030142 140.0
[M]- 187.12139858 140.0
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