CID 133555993

1612892-47-3

Structural Information

Molecular Formula
C10H17BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)[C@@H]2C[C@H]2C(=O)O
InChI
InChI=1S/C10H17BO4/c1-9(2)10(3,4)15-11(14-9)7-5-6(7)8(12)13/h6-7H,5H2,1-4H3,(H,12,13)/t6-,7-/m1/s1
InChIKey
VJJABIMANCDOSQ-RNFRBKRXSA-N
Compound name
(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

212.122 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.12928 140.0
[M+Na]+ 235.11122 150.2
[M-H]- 211.11472 148.3
[M+NH4]+ 230.15582 156.8
[M+K]+ 251.08516 151.7
[M+H-H2O]+ 195.11926 137.6
[M+HCOO]- 257.12020 157.5
[M+CH3COO]- 271.13585 187.9
[M+Na-2H]- 233.09667 145.3
[M]+ 212.12145 146.0
[M]- 212.12255 146.0
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