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

23
Patents

285.088 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.09528 159.5
[M+Na]+ 308.07722 167.4
[M+NH4]+ 303.12182 161.4
[M+K]+ 324.05116 164.8
[M-H]- 284.08072 156.7
[M+Na-2H]- 306.06267 162.7
[M]+ 285.08745 158.8
[M]- 285.08855 158.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe