CID 86724022

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

Structural Information

Molecular Formula
C10H19BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C(=C)CC
InChI
InChI=1S/C10H19BO2/c1-7-8(2)11-12-9(3,4)10(5,6)13-11/h2,7H2,1,3-6H3
InChIKey
IXSCPVMCIYQEKY-UHFFFAOYSA-N
Compound name
2-but-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

61
Patents

182.14781 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.15509 135.6
[M+Na]+ 205.13703 144.0
[M-H]- 181.14053 140.9
[M+NH4]+ 200.18163 159.3
[M+K]+ 221.11097 145.4
[M+H-H2O]+ 165.14507 133.3
[M+HCOO]- 227.14601 155.2
[M+CH3COO]- 241.16166 183.4
[M+Na-2H]- 203.12248 141.3
[M]+ 182.14726 138.3
[M]- 182.14836 138.3
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