CID 130122218

2-(tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-ol

Structural Information

Molecular Formula
C9H17BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C(=C)CO
InChI
InChI=1S/C9H17BO3/c1-7(6-11)10-12-8(2,3)9(4,5)13-10/h11H,1,6H2,2-5H3
InChIKey
SDQIEQJUQUFRHB-UHFFFAOYSA-N
Compound name
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

184.12708 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.13436 135.6
[M+Na]+ 207.11630 143.9
[M-H]- 183.11980 139.5
[M+NH4]+ 202.16090 158.4
[M+K]+ 223.09024 145.0
[M+H-H2O]+ 167.12434 133.5
[M+HCOO]- 229.12528 154.2
[M+CH3COO]- 243.14093 179.8
[M+Na-2H]- 205.10175 141.4
[M]+ 184.12653 137.6
[M]- 184.12763 137.6
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