CID 73553275

4-methyl-2-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine hydrochloride

Structural Information

Molecular Formula
C17H26BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C3CN(CCO3)C
InChI
InChI=1S/C17H26BNO3/c1-16(2)17(3,4)22-18(21-16)14-8-6-7-13(11-14)15-12-19(5)9-10-20-15/h6-8,11,15H,9-10,12H2,1-5H3
InChIKey
QCXVQZXSPNSOKD-UHFFFAOYSA-N
Compound name
4-methyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.20056 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.20784 169.3
[M+Na]+ 326.18978 176.5
[M-H]- 302.19328 179.5
[M+NH4]+ 321.23438 185.0
[M+K]+ 342.16372 177.3
[M+H-H2O]+ 286.19782 162.6
[M+HCOO]- 348.19876 183.9
[M+CH3COO]- 362.21441 181.1
[M+Na-2H]- 324.17523 172.0
[M]+ 303.20001 169.9
[M]- 303.20111 169.9
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.