CID 103776

5-methyl-2-(propan-2-yl)cyclohexyl dihydrogen borate

Structural Information

Molecular Formula
C10H21BO3
SMILES
B(O)(O)OC1CC(CCC1C(C)C)C
InChI
InChI=1S/C10H21BO3/c1-7(2)9-5-4-8(3)6-10(9)14-11(12)13/h7-10,12-13H,4-6H2,1-3H3
InChIKey
GNMGRDDGGNNGPH-UHFFFAOYSA-N
Compound name
(5-methyl-2-propan-2-ylcyclohexyl)oxyboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

200.15837 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.16565 146.7
[M+Na]+ 223.14759 150.7
[M-H]- 199.15109 146.9
[M+NH4]+ 218.19219 164.7
[M+K]+ 239.12153 149.9
[M+H-H2O]+ 183.15563 141.7
[M+HCOO]- 245.15657 162.0
[M+CH3COO]- 259.17222 182.9
[M+Na-2H]- 221.13304 146.3
[M]+ 200.15782 143.1
[M]- 200.15892 143.1
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