CID 10998582

1335234-36-0

Structural Information

Molecular Formula
C11H16BNO3
SMILES
B(C1=CC=C(C=C1)CN2CCOCC2)(O)O
InChI
InChI=1S/C11H16BNO3/c14-12(15)11-3-1-10(2-4-11)9-13-5-7-16-8-6-13/h1-4,14-15H,5-9H2
InChIKey
QPFDUULIDNELSE-UHFFFAOYSA-N
Compound name
[4-(morpholin-4-ylmethyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

430
Patents

221.12233 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12961 148.7
[M+Na]+ 244.11155 152.9
[M-H]- 220.11505 151.1
[M+NH4]+ 239.15615 162.4
[M+K]+ 260.08549 151.3
[M+H-H2O]+ 204.11959 141.1
[M+HCOO]- 266.12053 163.9
[M+CH3COO]- 280.13618 182.2
[M+Na-2H]- 242.09700 153.0
[M]+ 221.12178 144.2
[M]- 221.12288 144.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe