CID 132353721

4-methyl-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]morpholine

Structural Information

Molecular Formula
C18H28BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OCC3CN(CCO3)C
InChI
InChI=1S/C18H28BNO4/c1-17(2)18(3,4)24-19(23-17)14-6-8-15(9-7-14)22-13-16-12-20(5)10-11-21-16/h6-9,16H,10-13H2,1-5H3
InChIKey
HEOCHHFXYRSDKK-UHFFFAOYSA-N
Compound name
4-methyl-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.21115 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.21843 176.7
[M+Na]+ 356.20037 183.3
[M-H]- 332.20387 186.7
[M+NH4]+ 351.24497 191.0
[M+K]+ 372.17431 184.5
[M+H-H2O]+ 316.20841 169.7
[M+HCOO]- 378.20935 191.2
[M+CH3COO]- 392.22500 209.3
[M+Na-2H]- 354.18582 179.1
[M]+ 333.21060 179.1
[M]- 333.21170 179.1
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.