CID 154832112

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

Structural Information

Molecular Formula
C19H35BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C=C2CCCCCCCCCCC2
InChI
InChI=1S/C19H35BO2/c1-18(2)19(3,4)22-20(21-18)16-17-14-12-10-8-6-5-7-9-11-13-15-17/h16H,5-15H2,1-4H3
InChIKey
CGXLBBNPOBRFGP-UHFFFAOYSA-N
Compound name
2-(cyclododecylidenemethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.273 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.28028 173.2
[M+Na]+ 329.26222 175.4
[M-H]- 305.26572 177.3
[M+NH4]+ 324.30682 188.3
[M+K]+ 345.23616 175.7
[M+H-H2O]+ 289.27026 171.3
[M+HCOO]- 351.27120 185.3
[M+CH3COO]- 365.28685 197.8
[M+Na-2H]- 327.24767 172.2
[M]+ 306.27245 164.5
[M]- 306.27355 164.5
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.