CID 165982281

En300-37355992

Structural Information

Molecular Formula
C12H21BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/2\CCC2C
InChI
InChI=1S/C12H21BO2/c1-9-6-7-10(9)8-13-14-11(2,3)12(4,5)15-13/h8-9H,6-7H2,1-5H3/b10-8+
InChIKey
OTHPXPOFSUILMS-CSKARUKUSA-N
Compound name
4,4,5,5-tetramethyl-2-[(E)-(2-methylcyclobutylidene)methyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.16347 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.17075 139.2
[M+Na]+ 231.15269 146.0
[M-H]- 207.15619 147.6
[M+NH4]+ 226.19729 155.6
[M+K]+ 247.12663 149.1
[M+H-H2O]+ 191.16073 132.6
[M+HCOO]- 253.16167 157.6
[M+CH3COO]- 267.17732 190.3
[M+Na-2H]- 229.13814 144.0
[M]+ 208.16292 149.3
[M]- 208.16402 149.3
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

No patent data available for this compound.