CID 122362451

1383675-83-9

Structural Information

Molecular Formula
C12H19BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3N(CCCO3)N=C2
InChI
InChI=1S/C12H19BN2O3/c1-11(2)12(3,4)18-13(17-11)9-8-14-15-6-5-7-16-10(9)15/h8H,5-7H2,1-4H3
InChIKey
KJIVFEQWJYSIIP-UHFFFAOYSA-N
Compound name
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

250.14888 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15616 151.9
[M+Na]+ 273.13810 161.1
[M-H]- 249.14160 158.9
[M+NH4]+ 268.18270 171.2
[M+K]+ 289.11204 162.5
[M+H-H2O]+ 233.14614 146.6
[M+HCOO]- 295.14708 167.4
[M+CH3COO]- 309.16273 165.0
[M+Na-2H]- 271.12355 156.4
[M]+ 250.14833 154.3
[M]- 250.14943 154.3
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