CID 115016858

2742623-71-6

Structural Information

Molecular Formula

C₉H₁₅NO₃

SMILES

C1COCCN1C2CC(C2)C(=O)O

InChI

InChI=1S/C9H15NO3/c11-9(12)7-5-8(6-7)10-1-3-13-4-2-10/h7-8H,1-6H2,(H,11,12)

InChIKey

XRQRIJMPDUOXLD-UHFFFAOYSA-N

Compound name

3-morpholin-4-ylcyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 185.1052 Da
Monoisotopic Mass: -2.3
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]+	186.112476	135.6
[M+Na]+	208.094418	138.5
[M-H]-	184.097924	139.0
[M+NH4]+	203.139023	145.1
[M+K]+	224.068358	141.9
[M+H-H2O]+	168.102460	123.6
[M+HCOO]-	230.103401	150.3
[M+CH3COO]-	244.119051	181.4
[M+Na-2H]-	206.079866	139.2
[M]+	185.10465142	139.6
[M]-	185.10574858	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe