CID 50990450

(3,4-dihydro-2h-1-benzopyran-6-yl)boronic acid

Structural Information

Molecular Formula
C9H11BO3
SMILES
B(C1=CC2=C(C=C1)OCCC2)(O)O
InChI
InChI=1S/C9H11BO3/c11-10(12)8-3-4-9-7(6-8)2-1-5-13-9/h3-4,6,11-12H,1-2,5H2
InChIKey
RIBOTMNSYSYOHG-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-chromen-6-ylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

178.08012 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.087396 133.9
[M+Na]+ 201.069338 140.2
[M-H]- 177.072844 136.1
[M+NH4]+ 196.113943 152.3
[M+K]+ 217.043278 139.0
[M+H-H2O]+ 161.077380 128.6
[M+HCOO]- 223.078321 151.0
[M+CH3COO]- 237.093971 174.9
[M+Na-2H]- 199.054786 141.2
[M]+ 178.07957142 131.1
[M]- 178.08066858 131.1
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