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

95
Patents

238.17403 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.181306 150.4
[M+Na]+ 261.163248 157.8
[M-H]- 237.166754 158.5
[M+NH4]+ 256.207853 171.8
[M+K]+ 277.137188 159.0
[M+H-H2O]+ 221.171290 146.4
[M+HCOO]- 283.172231 168.8
[M+CH3COO]- 297.187881 191.8
[M+Na-2H]- 259.148696 155.0
[M]+ 238.17348142 152.1
[M]- 238.17457858 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