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

3088
Patents

275.16928 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.176556 160.6
[M+Na]+ 298.158498 169.8
[M-H]- 274.162004 169.1
[M+NH4]+ 293.203103 178.9
[M+K]+ 314.132438 170.6
[M+H-H2O]+ 258.166540 154.7
[M+HCOO]- 320.167481 175.7
[M+CH3COO]- 334.183131 173.4
[M+Na-2H]- 296.143946 165.9
[M]+ 275.16873142 163.2
[M]- 275.16982858 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