CID 65921280

1259034-35-9

Structural Information

Molecular Formula

C₁₀H₁₅NO₃

SMILES

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

InChI

InChI=1S/C10H15NO3/c1-5-10(13)6-11(7-10)8(12)14-9(2,3)4/h1,13H,6-7H2,2-4H3

InChIKey

VAWFBGXKDDJABY-UHFFFAOYSA-N

Compound name

tert-butyl 3-ethynyl-3-hydroxyazetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 197.1052 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]+	198.112476	142.6
[M+Na]+	220.094418	150.3
[M-H]-	196.097924	142.9
[M+NH4]+	215.139023	154.3
[M+K]+	236.068358	152.6
[M+H-H2O]+	180.102460	128.4
[M+HCOO]-	242.103401	154.3
[M+CH3COO]-	256.119051	191.7
[M+Na-2H]-	218.079866	146.3
[M]+	197.10465142	145.9
[M]-	197.10574858	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe