CID 105489057

1780970-70-8

Structural Information

Molecular Formula

C₁₀H₁₇NO₅

SMILES

CC(C)(C)OC(=O)N1CC(C1)(C(=O)O)OC

InChI

InChI=1S/C10H17NO5/c1-9(2,3)16-8(14)11-5-10(6-11,15-4)7(12)13/h5-6H2,1-4H3,(H,12,13)

InChIKey

RDCWOPRWTAQCRG-UHFFFAOYSA-N

Compound name

3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 231.11067 Da
Monoisotopic Mass: 0.2
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]+	232.117946	152.7
[M+Na]+	254.099888	157.6
[M-H]-	230.103394	153.5
[M+NH4]+	249.144493	164.1
[M+K]+	270.073828	161.5
[M+H-H2O]+	214.107930	143.3
[M+HCOO]-	276.108871	168.5
[M+CH3COO]-	290.124521	189.6
[M+Na-2H]-	252.085336	155.8
[M]+	231.11012142	164.1
[M]-	231.11121858	164.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe