CID 66520340

1319255-87-2

Structural Information

Molecular Formula
C13H21BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)C(C)(C)O
InChI
InChI=1S/C13H21BN2O3/c1-11(2,17)10-15-7-9(8-16-10)14-18-12(3,4)13(5,6)19-14/h7-8,17H,1-6H3
InChIKey
JBKQHCAUZJBAND-UHFFFAOYSA-N
Compound name
2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

321
Patents

264.16452 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.17180 156.2
[M+Na]+ 287.15374 165.5
[M-H]- 263.15724 161.1
[M+NH4]+ 282.19834 173.3
[M+K]+ 303.12768 165.9
[M+H-H2O]+ 247.16178 150.9
[M+HCOO]- 309.16272 171.8
[M+CH3COO]- 323.17837 194.4
[M+Na-2H]- 285.13919 162.8
[M]+ 264.16397 159.5
[M]- 264.16507 159.5
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