CID 118798230

1219021-46-1

Structural Information

Molecular Formula
C13H21BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3CCC2C3
InChI
InChI=1S/C13H21BO2/c1-12(2)13(3,4)16-14(15-12)11-8-9-5-6-10(11)7-9/h8-10H,5-7H2,1-4H3
InChIKey
RDRIINBHGGSOPA-UHFFFAOYSA-N
Compound name
2-(2-bicyclo[2.2.1]hept-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.16347 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.17075 147.8
[M+Na]+ 243.15269 156.8
[M-H]- 219.15619 155.7
[M+NH4]+ 238.19729 174.9
[M+K]+ 259.12663 156.2
[M+H-H2O]+ 203.16073 146.2
[M+HCOO]- 265.16167 166.9
[M+CH3COO]- 279.17732 162.2
[M+Na-2H]- 241.13814 150.8
[M]+ 220.16292 150.2
[M]- 220.16402 150.2
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.