CID 134818474

2764954-05-2

Structural Information

Molecular Formula
C11H17BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3N(CCO3)N=C2
InChI
InChI=1S/C11H17BN2O3/c1-10(2)11(3,4)17-12(16-10)8-7-13-14-5-6-15-9(8)14/h7H,5-6H2,1-4H3
InChIKey
PCFPESAOKGBMAA-UHFFFAOYSA-N
Compound name
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

3
Patents

236.13322 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.14050 146.1
[M+Na]+ 259.12244 156.4
[M-H]- 235.12594 153.8
[M+NH4]+ 254.16704 167.8
[M+K]+ 275.09638 158.1
[M+H-H2O]+ 219.13048 142.7
[M+HCOO]- 281.13142 164.2
[M+CH3COO]- 295.14707 160.4
[M+Na-2H]- 257.10789 149.8
[M]+ 236.13267 150.5
[M]- 236.13377 150.5
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