CID 49758783

2223035-77-4

Structural Information

Molecular Formula
C12H19BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)OCC
InChI
InChI=1S/C12H19BN2O3/c1-6-16-10-14-7-9(8-15-10)13-17-11(2,3)12(4,5)18-13/h7-8H,6H2,1-5H3
InChIKey
LRZCARRDCNWOIO-UHFFFAOYSA-N
Compound name
2-ethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

250.14888 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15616 151.1
[M+Na]+ 273.13810 160.9
[M-H]- 249.14160 157.2
[M+NH4]+ 268.18270 169.3
[M+K]+ 289.11204 161.9
[M+H-H2O]+ 233.14614 144.8
[M+HCOO]- 295.14708 170.1
[M+CH3COO]- 309.16273 193.4
[M+Na-2H]- 271.12355 157.5
[M]+ 250.14833 156.3
[M]- 250.14943 156.3
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