CID 58520870

1067239-25-1

Structural Information

Molecular Formula

C₁₀H₁₇NO₅

SMILES

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

InChI

InChI=1S/C10H17NO5/c1-10(2,3)16-9(15)11-4-6(5-11)7(12)8(13)14/h6-7,12H,4-5H2,1-3H3,(H,13,14)

InChIKey

XGHUUJMOUYDGKH-UHFFFAOYSA-N

Compound name

2-hydroxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 76
Patents: 231.11067 Da
Monoisotopic Mass: 0.1
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	154.7
[M+Na]+	254.099888	158.0
[M-H]-	230.103394	153.8
[M+NH4]+	249.144493	163.2
[M+K]+	270.073828	161.4
[M+H-H2O]+	214.107930	143.6
[M+HCOO]-	276.108871	167.9
[M+CH3COO]-	290.124521	188.6
[M+Na-2H]-	252.085336	154.5
[M]+	231.11012142	163.1
[M]-	231.11121858	163.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe