CID 4625910

690636-28-3

Structural Information

Molecular Formula
C18H28BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OCCN3CCOCC3
InChI
InChI=1S/C18H28BNO4/c1-17(2)18(3,4)24-19(23-17)15-5-7-16(8-6-15)22-14-11-20-9-12-21-13-10-20/h5-8H,9-14H2,1-4H3
InChIKey
ZHMKOJLQGMTKKB-UHFFFAOYSA-N
Compound name
4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

274
Patents

333.21115 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.21843 177.2
[M+Na]+ 356.20037 182.8
[M-H]- 332.20387 186.8
[M+NH4]+ 351.24497 191.2
[M+K]+ 372.17431 184.1
[M+H-H2O]+ 316.20841 169.8
[M+HCOO]- 378.20935 191.7
[M+CH3COO]- 392.22500 208.0
[M+Na-2H]- 354.18582 180.1
[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

patents stripe