CID 53438464

(3,4-dihydro-2h-1-benzopyran-8-yl)boronic acid

Structural Information

Molecular Formula
C9H11BO3
SMILES
B(C1=C2C(=CC=C1)CCCO2)(O)O
InChI
InChI=1S/C9H11BO3/c11-10(12)8-5-1-3-7-4-2-6-13-9(7)8/h1,3,5,11-12H,2,4,6H2
InChIKey
LUKDZQONQZOKEA-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-chromen-8-ylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

178.08012 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08740 133.9
[M+Na]+ 201.06934 140.2
[M-H]- 177.07284 136.1
[M+NH4]+ 196.11394 152.3
[M+K]+ 217.04328 139.0
[M+H-H2O]+ 161.07738 128.6
[M+HCOO]- 223.07832 151.0
[M+CH3COO]- 237.09397 174.9
[M+Na-2H]- 199.05479 141.2
[M]+ 178.07957 131.1
[M]- 178.08067 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