CID 138039625

2-(bicyclo[3.1.0]hex-2-en-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C12H19BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3CC3C2
InChI
InChI=1S/C12H19BO2/c1-11(2)12(3,4)15-13(14-11)10-6-8-5-9(8)7-10/h6,8-9H,5,7H2,1-4H3
InChIKey
KUWQHHQXIOTEEK-UHFFFAOYSA-N
Compound name
2-(3-bicyclo[3.1.0]hex-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

206.14781 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.15509 140.3
[M+Na]+ 229.13703 151.7
[M-H]- 205.14053 150.5
[M+NH4]+ 224.18163 160.8
[M+K]+ 245.11097 152.0
[M+H-H2O]+ 189.14507 137.9
[M+HCOO]- 251.14601 159.3
[M+CH3COO]- 265.16166 155.2
[M+Na-2H]- 227.12248 145.8
[M]+ 206.14726 146.4
[M]- 206.14836 146.4
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