CID 11117347

581802-26-8

Structural Information

Molecular Formula
C11H21BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C(C)(C)O
InChI
InChI=1S/C11H21BO3/c1-9(2,13)7-8-12-14-10(3,4)11(5,6)15-12/h7-8,13H,1-6H3/b8-7+
InChIKey
FBCZPBPTNCLUII-BQYQJAHWSA-N
Compound name
(E)-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

212.15837 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.16565 143.0
[M+Na]+ 235.14759 151.2
[M-H]- 211.15109 146.9
[M+NH4]+ 230.19219 165.0
[M+K]+ 251.12153 152.0
[M+H-H2O]+ 195.15563 141.4
[M+HCOO]- 257.15657 160.5
[M+CH3COO]- 271.17222 184.7
[M+Na-2H]- 233.13304 150.2
[M]+ 212.15782 145.9
[M]- 212.15892 145.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe