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 160.6
[M+Na]+ 288.13775 164.7
[M-H]- 264.14125 163.0
[M+NH4]+ 283.18235 172.8
[M+K]+ 304.11169 163.4
[M+H-H2O]+ 248.14579 152.6
[M+HCOO]- 310.14673 175.4
[M+CH3COO]- 324.16238 191.6
[M+Na-2H]- 286.12320 163.3
[M]+ 265.14798 158.7
[M]- 265.14908 158.7
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

No patent data available for this compound.