CID 71306516

3-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-prop-2-yn-1-ol

Structural Information

Molecular Formula
C15H19BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C#CCO
InChI
InChI=1S/C15H19BO3/c1-14(2)15(3,4)19-16(18-14)13-9-7-12(8-10-13)6-5-11-17/h7-10,17H,11H2,1-4H3
InChIKey
SYRFTFKBNBRKRB-UHFFFAOYSA-N
Compound name
3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

258.14273 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.15001 154.2
[M+Na]+ 281.13195 166.3
[M-H]- 257.13545 159.4
[M+NH4]+ 276.17655 172.2
[M+K]+ 297.10589 161.6
[M+H-H2O]+ 241.13999 143.7
[M+HCOO]- 303.14093 168.3
[M+CH3COO]- 317.15658 198.5
[M+Na-2H]- 279.11740 158.4
[M]+ 258.14218 151.4
[M]- 258.14328 151.4
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