CID 138987542

2305255-29-0

Structural Information

Molecular Formula

C₁₀H₁₅ClN₂O₂

SMILES

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

InChI

InChI=1S/C10H15ClN2O2/c1-9(2,3)15-8(14)13-6-10(4-11,5-12)7-13/h4,6-7H2,1-3H3

InChIKey

LRDBSKQCQSAALG-UHFFFAOYSA-N

Compound name

tert-butyl 3-(chloromethyl)-3-cyanoazetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 230.0822 Da
Monoisotopic Mass: 1.0
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]+	231.089476	144.6
[M+Na]+	253.071418	153.1
[M-H]-	229.074924	147.0
[M+NH4]+	248.116023	156.8
[M+K]+	269.045358	154.4
[M+H-H2O]+	213.079460	130.1
[M+HCOO]-	275.080401	155.7
[M+CH3COO]-	289.096051	201.9
[M+Na-2H]-	251.056866	149.2
[M]+	230.08165142	150.6
[M]-	230.08274858	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.