CID 12727711

2-isopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C9H19BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C(C)C
InChI
InChI=1S/C9H19BO2/c1-7(2)10-11-8(3,4)9(5,6)12-10/h7H,1-6H3
InChIKey
MECCSFDHAVAAAW-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

928
Patents

170.14781 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.15509 132.4
[M+Na]+ 193.13703 140.9
[M-H]- 169.14053 137.8
[M+NH4]+ 188.18163 156.7
[M+K]+ 209.11097 143.2
[M+H-H2O]+ 153.14507 130.2
[M+HCOO]- 215.14601 152.2
[M+CH3COO]- 229.16166 181.2
[M+Na-2H]- 191.12248 138.6
[M]+ 170.14726 135.5
[M]- 170.14836 135.5
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