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

93
Patents

238.17403 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.18131 150.4
[M+Na]+ 261.16325 157.8
[M-H]- 237.16675 158.5
[M+NH4]+ 256.20785 171.8
[M+K]+ 277.13719 159.0
[M+H-H2O]+ 221.17129 146.4
[M+HCOO]- 283.17223 168.8
[M+CH3COO]- 297.18788 191.8
[M+Na-2H]- 259.14870 155.0
[M]+ 238.17348 152.1
[M]- 238.17458 152.1
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