CID 69234273

928631-04-3

Structural Information

Molecular Formula
C16H22BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N3CCOCC3=O
InChI
InChI=1S/C16H22BNO4/c1-15(2)16(3,4)22-17(21-15)12-5-7-13(8-6-12)18-9-10-20-11-14(18)19/h5-8H,9-11H2,1-4H3
InChIKey
SGYJVKVXQJBTCN-UHFFFAOYSA-N
Compound name
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

303.16418 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.17146 166.6
[M+Na]+ 326.15340 174.3
[M-H]- 302.15690 177.0
[M+NH4]+ 321.19800 182.1
[M+K]+ 342.12734 175.4
[M+H-H2O]+ 286.16144 160.0
[M+HCOO]- 348.16238 181.9
[M+CH3COO]- 362.17803 202.8
[M+Na-2H]- 324.13885 170.1
[M]+ 303.16363 167.7
[M]- 303.16473 167.7
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