CID 2795301

519054-54-7

Structural Information

Molecular Formula
C15H22BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(CCO3)C
InChI
InChI=1S/C15H22BNO3/c1-14(2)15(3,4)20-16(19-14)11-6-7-12-13(10-11)18-9-8-17(12)5/h6-7,10H,8-9H2,1-5H3
InChIKey
QRAOZQGIUIDZQZ-UHFFFAOYSA-N
Compound name
4-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1,4-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2678
Patents

275.16928 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.17656 160.6
[M+Na]+ 298.15850 169.8
[M-H]- 274.16200 169.1
[M+NH4]+ 293.20310 178.9
[M+K]+ 314.13244 170.6
[M+H-H2O]+ 258.16654 154.7
[M+HCOO]- 320.16748 175.7
[M+CH3COO]- 334.18313 173.4
[M+Na-2H]- 296.14395 165.9
[M]+ 275.16873 163.2
[M]- 275.16983 163.2
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

patents stripe