CID 129597756

1809200-96-1

Structural Information

Molecular Formula
C14H18BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(COC(=O)N3)C=C2
InChI
InChI=1S/C14H18BNO4/c1-13(2)14(3,4)20-15(19-13)10-6-5-9-8-18-12(17)16-11(9)7-10/h5-7H,8H2,1-4H3,(H,16,17)
InChIKey
KRGNSDCMLGNQPS-UHFFFAOYSA-N
Compound name
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dihydro-3,1-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

275.13287 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.14015 158.9
[M+Na]+ 298.12209 168.3
[M-H]- 274.12559 166.3
[M+NH4]+ 293.16669 176.3
[M+K]+ 314.09603 168.4
[M+H-H2O]+ 258.13013 153.5
[M+HCOO]- 320.13107 173.2
[M+CH3COO]- 334.14672 171.4
[M+Na-2H]- 296.10754 164.6
[M]+ 275.13232 160.3
[M]- 275.13342 160.3
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