CID 166152111

2875497-15-5

Structural Information

Molecular Formula
C12H19BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3N(CCO3)N=C2C
InChI
InChI=1S/C12H19BN2O3/c1-8-9(10-15(14-8)6-7-16-10)13-17-11(2,3)12(4,5)18-13/h6-7H2,1-5H3
InChIKey
RMFUGTAHDQUEHU-UHFFFAOYSA-N
Compound name
6-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.14888 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15616 150.1
[M+Na]+ 273.13810 160.9
[M-H]- 249.14160 158.0
[M+NH4]+ 268.18270 171.5
[M+K]+ 289.11204 162.3
[M+H-H2O]+ 233.14614 147.0
[M+HCOO]- 295.14708 167.9
[M+CH3COO]- 309.16273 164.3
[M+Na-2H]- 271.12355 152.8
[M]+ 250.14833 155.2
[M]- 250.14943 155.2
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.