CID 16217904

870778-94-2

Structural Information

Molecular Formula
C11H17BO3
SMILES
B(C1=C(C=CC(=C1)C)OCC(C)C)(O)O
InChI
InChI=1S/C11H17BO3/c1-8(2)7-15-11-5-4-9(3)6-10(11)12(13)14/h4-6,8,13-14H,7H2,1-3H3
InChIKey
DJGCEUCMCLMRKN-UHFFFAOYSA-N
Compound name
[5-methyl-2-(2-methylpropoxy)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

208.12708 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.13436 146.0
[M+Na]+ 231.11630 152.6
[M-H]- 207.11980 147.1
[M+NH4]+ 226.16090 163.9
[M+K]+ 247.09024 150.9
[M+H-H2O]+ 191.12434 140.6
[M+HCOO]- 253.12528 165.3
[M+CH3COO]- 267.14093 184.7
[M+Na-2H]- 229.10175 147.9
[M]+ 208.12653 147.1
[M]- 208.12763 147.1
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