CID 125452840

Tert-butyl 3-(2-chloro-5-methylpyrimidin-4-yl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C13H18ClN3O2
SMILES
CC1=CN=C(N=C1C2CN(C2)C(=O)OC(C)(C)C)Cl
InChI
InChI=1S/C13H18ClN3O2/c1-8-5-15-11(14)16-10(8)9-6-17(7-9)12(18)19-13(2,3)4/h5,9H,6-7H2,1-4H3
InChIKey
KINCWMIBYFWLSX-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-chloro-5-methylpyrimidin-4-yl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.10876 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.11604 161.6
[M+Na]+ 306.09798 170.2
[M+NH4]+ 301.14258 163.9
[M+K]+ 322.07192 167.0
[M-H]- 282.10148 159.3
[M+Na-2H]- 304.08343 164.7
[M]+ 283.10821 161.2
[M]- 283.10931 161.2
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

No patent data available for this compound.