CID 84223807

4,4,5,5-tetramethyl-2-(oxetan-3-yl)-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C9H17BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2COC2
InChI
InChI=1S/C9H17BO3/c1-8(2)9(3,4)13-10(12-8)7-5-11-6-7/h7H,5-6H2,1-4H3
InChIKey
LBABXQQSDMILIX-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(oxetan-3-yl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

184.12708 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.13436 128.2
[M+Na]+ 207.11630 134.9
[M-H]- 183.11980 137.2
[M+NH4]+ 202.16090 143.9
[M+K]+ 223.09024 140.8
[M+H-H2O]+ 167.12434 121.9
[M+HCOO]- 229.12528 146.6
[M+CH3COO]- 243.14093 184.2
[M+Na-2H]- 205.10175 136.2
[M]+ 184.12653 139.7
[M]- 184.12763 139.7
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