CID 124706747

En300-33239334

Structural Information

Molecular Formula
C10H19BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C(=C)[C@H](C)O
InChI
InChI=1S/C10H19BO3/c1-7(8(2)12)11-13-9(3,4)10(5,6)14-11/h8,12H,1H2,2-6H3/t8-/m0/s1
InChIKey
DDOWEUHSLARCNM-QMMMGPOBSA-N
Compound name
(2S)-3-(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

0
Patents

198.14273 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.15001 140.4
[M+Na]+ 221.13195 148.0
[M-H]- 197.13545 144.2
[M+NH4]+ 216.17655 162.5
[M+K]+ 237.10589 149.4
[M+H-H2O]+ 181.13999 138.3
[M+HCOO]- 243.14093 157.6
[M+CH3COO]- 257.15658 183.8
[M+Na-2H]- 219.11740 144.4
[M]+ 198.14218 142.1
[M]- 198.14328 142.1
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

No patent data available for this compound.