CID 12493145

2-isopropoxy-4,4,6-trimethyl-1,3,2-dioxaborinane

Structural Information

Molecular Formula
C9H19BO3
SMILES
B1(OC(CC(O1)(C)C)C)OC(C)C
InChI
InChI=1S/C9H19BO3/c1-7(2)11-10-12-8(3)6-9(4,5)13-10/h7-8H,6H2,1-5H3
InChIKey
AHCZPHINTQYKPU-UHFFFAOYSA-N
Compound name
4,4,6-trimethyl-2-propan-2-yloxy-1,3,2-dioxaborinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

186.14273 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.15001 139.5
[M+Na]+ 209.13195 146.2
[M-H]- 185.13545 144.4
[M+NH4]+ 204.17655 159.2
[M+K]+ 225.10589 149.0
[M+H-H2O]+ 169.13999 135.1
[M+HCOO]- 231.14093 157.4
[M+CH3COO]- 245.15658 183.8
[M+Na-2H]- 207.11740 145.3
[M]+ 186.14218 141.6
[M]- 186.14328 141.6
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