CID 124704246

1260824-43-8

Structural Information

Molecular Formula

C₁₀H₁₆ClNO₃

SMILES

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

InChI

InChI=1S/C10H16ClNO3/c1-10(2,3)15-9(14)12-5-7(6-12)8(13)4-11/h7H,4-6H2,1-3H3

InChIKey

RIHBAFYOPAVGKE-UHFFFAOYSA-N

Compound name

tert-butyl 3-(2-chloroacetyl)azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 233.08188 Da
Monoisotopic Mass: 1.2
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]+	234.089156	148.2
[M+Na]+	256.071098	154.3
[M-H]-	232.074604	150.1
[M+NH4]+	251.115703	159.5
[M+K]+	272.045038	155.5
[M+H-H2O]+	216.079140	138.3
[M+HCOO]-	278.080081	161.0
[M+CH3COO]-	292.095731	192.1
[M+Na-2H]-	254.056546	150.4
[M]+	233.08133142	160.2
[M]-	233.08242858	160.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe