CID 155891408

3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)bicyclo[1.1.1]pentane-1-carboxylic acid

Structural Information

Molecular Formula
C12H19BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C23CC(C2)(C3)C(=O)O
InChI
InChI=1S/C12H19BO4/c1-9(2)10(3,4)17-13(16-9)12-5-11(6-12,7-12)8(14)15/h5-7H2,1-4H3,(H,14,15)
InChIKey
YHZXAMOCZAIVKD-UHFFFAOYSA-N
Compound name
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)bicyclo[1.1.1]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.13763 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.14491 161.8
[M+Na]+ 261.12685 165.2
[M-H]- 237.13035 167.7
[M+NH4]+ 256.17145 168.0
[M+K]+ 277.10079 171.3
[M+H-H2O]+ 221.13489 153.1
[M+HCOO]- 283.13583 170.6
[M+CH3COO]- 297.15148 215.4
[M+Na-2H]- 259.11230 167.1
[M]+ 238.13708 188.1
[M]- 238.13818 188.1
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

No patent data available for this compound.