CID 67453403

1310384-24-7

Structural Information

Molecular Formula
C12H21BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCC(CC2)O
InChI
InChI=1S/C12H21BO3/c1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9/h5,10,14H,6-8H2,1-4H3
InChIKey
CJCRPHXXLKDDES-UHFFFAOYSA-N
Compound name
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

224.15837 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.16565 147.1
[M+Na]+ 247.14759 154.5
[M-H]- 223.15109 153.9
[M+NH4]+ 242.19219 168.3
[M+K]+ 263.12153 154.9
[M+H-H2O]+ 207.15563 143.5
[M+HCOO]- 269.15657 164.2
[M+CH3COO]- 283.17222 186.3
[M+Na-2H]- 245.13304 151.8
[M]+ 224.15782 146.6
[M]- 224.15892 146.6
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