CID 137965601

2152645-04-8

Structural Information

Molecular Formula
C13H25BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2C(C2(C)C)(C)C
InChI
InChI=1S/C13H25BO2/c1-10(2)9(11(10,3)4)14-15-12(5,6)13(7,8)16-14/h9H,1-8H3
InChIKey
BPEYFKBODDZCIU-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(2,2,3,3-tetramethylcyclopropyl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.19476 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.20204 137.9
[M+Na]+ 247.18398 149.6
[M-H]- 223.18748 148.1
[M+NH4]+ 242.22858 159.2
[M+K]+ 263.15792 152.8
[M+H-H2O]+ 207.19202 137.6
[M+HCOO]- 269.19296 155.6
[M+CH3COO]- 283.20861 196.0
[M+Na-2H]- 245.16943 145.6
[M]+ 224.19421 146.6
[M]- 224.19531 146.6
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

No patent data available for this compound.