CID 292718

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

Structural Information

Molecular Formula
C10H21BO3
SMILES
B1(OC(CC(O1)(C)C)C)OCCCC
InChI
InChI=1S/C10H21BO3/c1-5-6-7-12-11-13-9(2)8-10(3,4)14-11/h9H,5-8H2,1-4H3
InChIKey
QYEORKBTSMBOOE-UHFFFAOYSA-N
Compound name
2-butoxy-4,4,6-trimethyl-1,3,2-dioxaborinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

200.15837 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.16565 144.1
[M+Na]+ 223.14759 150.5
[M-H]- 199.15109 148.6
[M+NH4]+ 218.19219 163.2
[M+K]+ 239.12153 152.6
[M+H-H2O]+ 183.15563 139.3
[M+HCOO]- 245.15657 162.6
[M+CH3COO]- 259.17222 185.9
[M+Na-2H]- 221.13304 150.5
[M]+ 200.15782 147.1
[M]- 200.15892 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