CID 23005445

Akos004115128

Structural Information

Molecular Formula
C11H15BO3
SMILES
B(C1=CC2=C(C=C1)OCCC2(C)C)(O)O
InChI
InChI=1S/C11H15BO3/c1-11(2)5-6-15-10-4-3-8(12(13)14)7-9(10)11/h3-4,7,13-14H,5-6H2,1-2H3
InChIKey
UVTJTLUZZRYAGX-UHFFFAOYSA-N
Compound name
(4,4-dimethyl-2,3-dihydrochromen-6-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.11142 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11870 143.4
[M+Na]+ 229.10064 150.7
[M-H]- 205.10414 146.0
[M+NH4]+ 224.14524 163.1
[M+K]+ 245.07458 149.4
[M+H-H2O]+ 189.10868 138.6
[M+HCOO]- 251.10962 159.8
[M+CH3COO]- 265.12527 181.7
[M+Na-2H]- 227.08609 150.0
[M]+ 206.11087 142.1
[M]- 206.11197 142.1
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

No patent data available for this compound.