CID 63214305

{3-methyl-4-[2-(morpholin-4-yl)ethoxy]phenyl}boronic acid

Structural Information

Molecular Formula
C13H20BNO4
SMILES
B(C1=CC(=C(C=C1)OCCN2CCOCC2)C)(O)O
InChI
InChI=1S/C13H20BNO4/c1-11-10-12(14(16)17)2-3-13(11)19-9-6-15-4-7-18-8-5-15/h2-3,10,16-17H,4-9H2,1H3
InChIKey
BBDSLNZICSZQJI-UHFFFAOYSA-N
Compound name
[3-methyl-4-(2-morpholin-4-ylethoxy)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.14853 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.15581 161.3
[M+Na]+ 288.13775 172.0
[M+NH4]+ 283.18235 167.7
[M+K]+ 304.11169 167.4
[M-H]- 264.14125 164.1
[M+Na-2H]- 286.12320 165.5
[M]+ 265.14798 163.3
[M]- 265.14908 163.3
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

No patent data available for this compound.