CID 46739762

331958-92-0

Structural Information

Molecular Formula
C10H19BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)CCC=C
InChI
InChI=1S/C10H19BO2/c1-6-7-8-11-12-9(2,3)10(4,5)13-11/h6H,1,7-8H2,2-5H3
InChIKey
RGCTUSLNTQXCHW-UHFFFAOYSA-N
Compound name
2-but-3-enyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

182.14781 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.15509 135.3
[M+Na]+ 205.13703 143.9
[M-H]- 181.14053 140.5
[M+NH4]+ 200.18163 159.1
[M+K]+ 221.11097 144.9
[M+H-H2O]+ 165.14507 132.8
[M+HCOO]- 227.14601 155.9
[M+CH3COO]- 241.16166 182.5
[M+Na-2H]- 203.12248 142.2
[M]+ 182.14726 138.7
[M]- 182.14836 138.7
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