CID 139016280

2344679-68-9

Structural Information

Molecular Formula

C₁₀H₁₇NO₃

SMILES

C1CNCCC1C2(CC(C2)C(=O)O)O

InChI

InChI=1S/C10H17NO3/c12-9(13)7-5-10(14,6-7)8-1-3-11-4-2-8/h7-8,11,14H,1-6H2,(H,12,13)

InChIKey

QNXASAIIVRNBHA-UHFFFAOYSA-N

Compound name

3-hydroxy-3-piperidin-4-ylcyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 199.12085 Da
Monoisotopic Mass: -2.5
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]+	200.128126	146.9
[M+Na]+	222.110068	149.4
[M-H]-	198.113574	147.2
[M+NH4]+	217.154673	157.6
[M+K]+	238.084008	150.0
[M+H-H2O]+	182.118110	136.3
[M+HCOO]-	244.119051	159.0
[M+CH3COO]-	258.134701	179.1
[M+Na-2H]-	220.095516	148.7
[M]+	199.12030142	147.4
[M]-	199.12139858	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.