CID 72221110

2-(3-methoxyprop-1-en-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C10H19BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C(=C)COC
InChI
InChI=1S/C10H19BO3/c1-8(7-12-6)11-13-9(2,3)10(4,5)14-11/h1,7H2,2-6H3
InChIKey
CIKBASZWGDPBIB-UHFFFAOYSA-N
Compound name
2-(3-methoxyprop-1-en-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

198.14273 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.15001 138.8
[M+Na]+ 221.13195 147.0
[M-H]- 197.13545 144.0
[M+NH4]+ 216.17655 161.7
[M+K]+ 237.10589 149.0
[M+H-H2O]+ 181.13999 136.3
[M+HCOO]- 243.14093 158.6
[M+CH3COO]- 257.15658 185.4
[M+Na-2H]- 219.11740 144.6
[M]+ 198.14218 143.0
[M]- 198.14328 143.0
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