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

1
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

patents stripe