CID 59446390

1869934-28-0

Structural Information

Molecular Formula
C16H25BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2CC(C)C
InChI
InChI=1S/C16H25BO2/c1-12(2)11-13-9-7-8-10-14(13)17-18-15(3,4)16(5,6)19-17/h7-10,12H,11H2,1-6H3
InChIKey
NHLCBLRYXWICMG-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[2-(2-methylpropyl)phenyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

260.19476 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.202036 157.9
[M+Na]+ 283.183978 165.9
[M-H]- 259.187484 166.3
[M+NH4]+ 278.228583 178.5
[M+K]+ 299.157918 166.0
[M+H-H2O]+ 243.192020 153.5
[M+HCOO]- 305.192961 177.0
[M+CH3COO]- 319.208611 198.8
[M+Na-2H]- 281.169426 161.4
[M]+ 260.19421142 161.4
[M]- 260.19530858 161.4
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