CID 172639099

At45176

Structural Information

Molecular Formula
C14H25BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C(\C)/C2CCOCC2
InChI
InChI=1S/C14H25BO3/c1-11(12-6-8-16-9-7-12)10-15-17-13(2,3)14(4,5)18-15/h10,12H,6-9H2,1-5H3/b11-10+
InChIKey
GGHZPPYSBIMIIJ-ZHACJKMWSA-N
Compound name
4,4,5,5-tetramethyl-2-[(E)-2-(oxan-4-yl)prop-1-enyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.18968 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.19696 157.6
[M+Na]+ 275.17890 162.8
[M-H]- 251.18240 165.4
[M+NH4]+ 270.22350 176.5
[M+K]+ 291.15284 164.7
[M+H-H2O]+ 235.18694 153.7
[M+HCOO]- 297.18788 172.3
[M+CH3COO]- 311.20353 193.8
[M+Na-2H]- 273.16435 160.8
[M]+ 252.18913 157.0
[M]- 252.19023 157.0
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

No patent data available for this compound.