CID 102198915

2-(cyclobutylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C11H21BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)CC2CCC2
InChI
InChI=1S/C11H21BO2/c1-10(2)11(3,4)14-12(13-10)8-9-6-5-7-9/h9H,5-8H2,1-4H3
InChIKey
KAOGTTNKADLLPW-UHFFFAOYSA-N
Compound name
2-(cyclobutylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

196.16347 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.17075 136.3
[M+Na]+ 219.15269 142.3
[M-H]- 195.15619 144.4
[M+NH4]+ 214.19729 152.8
[M+K]+ 235.12663 146.2
[M+H-H2O]+ 179.16073 129.4
[M+HCOO]- 241.16167 154.8
[M+CH3COO]- 255.17732 187.7
[M+Na-2H]- 217.13814 142.1
[M]+ 196.16292 146.4
[M]- 196.16402 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