CID 59859689

1035351-06-4

Structural Information

Molecular Formula

C₉H₁₅NO₅

SMILES

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

InChI

InChI=1S/C9H15NO5/c1-8(2,3)15-7(13)10-4-9(14,5-10)6(11)12/h14H,4-5H2,1-3H3,(H,11,12)

InChIKey

JUVBVTZAIHSJDI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 192
Patents: 217.09502 Da
Monoisotopic Mass: -0.3
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]+	218.102296	150.1
[M+Na]+	240.084238	155.0
[M-H]-	216.087744	149.7
[M+NH4]+	235.128843	161.3
[M+K]+	256.058178	158.2
[M+H-H2O]+	200.092280	140.9
[M+HCOO]-	262.093221	164.6
[M+CH3COO]-	276.108871	184.3
[M+Na-2H]-	238.069686	153.0
[M]+	217.09447142	159.2
[M]-	217.09556858	159.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe