CID 59351432

1092938-92-5

Structural Information

Molecular Formula
C13H23BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCC(CC2)OC
InChI
InChI=1S/C13H23BO3/c1-12(2)13(3,4)17-14(16-12)10-6-8-11(15-5)9-7-10/h6,11H,7-9H2,1-5H3
InChIKey
PUJKAJRQPDUAFS-UHFFFAOYSA-N
Compound name
2-(4-methoxycyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

238.17403 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.18131 152.2
[M+Na]+ 261.16325 163.2
[M+NH4]+ 256.20785 163.4
[M+K]+ 277.13719 156.3
[M-H]- 237.16675 157.9
[M+Na-2H]- 259.14870 158.9
[M]+ 238.17348 155.7
[M]- 238.17458 155.7
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