CID 168876469

3-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-benzoxazole

Structural Information

Molecular Formula
C16H20BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)ON=C3C4CC4
InChI
InChI=1S/C16H20BNO3/c1-15(2)16(3,4)21-17(20-15)11-7-8-13-12(9-11)14(18-19-13)10-5-6-10/h7-10H,5-6H2,1-4H3
InChIKey
XTYZXNHRMQXDSR-UHFFFAOYSA-N
Compound name
3-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.15363 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.16091 159.1
[M+Na]+ 308.14285 172.1
[M-H]- 284.14635 172.1
[M+NH4]+ 303.18745 174.0
[M+K]+ 324.11679 172.7
[M+H-H2O]+ 268.15089 154.8
[M+HCOO]- 330.15183 177.8
[M+CH3COO]- 344.16748 173.3
[M+Na-2H]- 306.12830 164.3
[M]+ 285.15308 168.4
[M]- 285.15418 168.4
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.