CID 6451856

42278-67-1

Structural Information

Molecular Formula
C9H21BO3
SMILES
[B-](OC(C)C)(OC(C)C)OC(C)C
InChI
InChI=1S/C9H21BO3/c1-7(2)11-10(12-8(3)4)13-9(5)6/h7-9H,1-6H3/q-1
InChIKey
DVZUEMIDUPORPT-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.15837 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.16565 145.6
[M+Na]+ 211.14759 150.1
[M-H]- 187.15109 143.7
[M+NH4]+ 206.19219 164.7
[M+K]+ 227.12153 152.1
[M+H-H2O]+ 171.15563 142.9
[M+HCOO]- 233.15657 164.4
[M+CH3COO]- 247.17222 185.0
[M+Na-2H]- 209.13304 144.6
[M]+ 188.15782 147.8
[M]- 188.15892 147.8
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.