CID 77231488

1121633-27-9

Structural Information

Molecular Formula

C₁₂H₁₆ClN₃O₃

SMILES

CC(C)(C)OC(=O)N1CC(C1)OC2=NC(=NC=C2)Cl

InChI

InChI=1S/C12H16ClN3O3/c1-12(2,3)19-11(17)16-6-8(7-16)18-9-4-5-14-10(13)15-9/h4-5,8H,6-7H2,1-3H3

InChIKey

QTVCCFCXGYWJAD-UHFFFAOYSA-N

Compound name

tert-butyl 3-(2-chloropyrimidin-4-yl)oxyazetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 285.088 Da
Monoisotopic Mass: 2.2
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]+	286.095276	159.6
[M+Na]+	308.077218	166.9
[M-H]-	284.080724	161.9
[M+NH4]+	303.121823	166.1
[M+K]+	324.051158	167.2
[M+H-H2O]+	268.085260	146.2
[M+HCOO]-	330.086201	171.2
[M+CH3COO]-	344.101851	200.1
[M+Na-2H]-	306.062666	163.7
[M]+	285.08745142	172.3
[M]-	285.08854858	172.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe