CID 62395408

2-[4-hydroxy-1-(propan-2-yl)piperidin-4-yl]acetic acid hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₉NO₃

SMILES

CC(C)N1CCC(CC1)(CC(=O)O)O

InChI

InChI=1S/C10H19NO3/c1-8(2)11-5-3-10(14,4-6-11)7-9(12)13/h8,14H,3-7H2,1-2H3,(H,12,13)

InChIKey

FSKJCGXSOGSHCZ-UHFFFAOYSA-N

Compound name

2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 201.13649 Da
Monoisotopic Mass: -1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	202.143766	147.0
[M+Na]+	224.125708	151.6
[M-H]-	200.129214	145.8
[M+NH4]+	219.170313	165.2
[M+K]+	240.099648	150.5
[M+H-H2O]+	184.133750	141.9
[M+HCOO]-	246.134691	161.4
[M+CH3COO]-	260.150341	180.6
[M+Na-2H]-	222.111156	148.8
[M]+	201.13594142	142.8
[M]-	201.13703858	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe