CID 65921283

Schembl7695181

Structural Information

Molecular Formula

C₁₀H₁₇NO₃

SMILES

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

InChI

InChI=1S/C10H17NO3/c1-5-10(13)6-11(7-10)8(12)14-9(2,3)4/h5,13H,1,6-7H2,2-4H3

InChIKey

PKGHGXLXOUXXSK-UHFFFAOYSA-N

Compound name

tert-butyl 3-ethenyl-3-hydroxyazetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 199.12085 Da
Monoisotopic Mass: 0.7
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]+	200.12813	147.4
[M+Na]+	222.11007	153.2
[M-H]-	198.11357	148.4
[M+NH4]+	217.15467	160.5
[M+K]+	238.08401	155.3
[M+H-H2O]+	182.11811	138.4
[M+HCOO]-	244.11905	163.9
[M+CH3COO]-	258.13470	184.6
[M+Na-2H]-	220.09552	151.5
[M]+	199.12030	156.7
[M]-	199.12140	156.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe