CID 124704656

1422541-99-8

Structural Information

Molecular Formula
C10H16BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)[C@@H]2C[C@H]2C#N
InChI
InChI=1S/C10H16BNO2/c1-9(2)10(3,4)14-11(13-9)8-5-7(8)6-12/h7-8H,5H2,1-4H3/t7-,8+/m0/s1
InChIKey
LMBRSTBCFVYBJR-JGVFFNPUSA-N
Compound name
(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.12741 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.13469 129.8
[M+Na]+ 216.11663 147.2
[M-H]- 192.12013 140.3
[M+NH4]+ 211.16123 148.3
[M+K]+ 232.09057 143.6
[M+H-H2O]+ 176.12467 122.8
[M+HCOO]- 238.12561 148.3
[M+CH3COO]- 252.14126 198.7
[M+Na-2H]- 214.10208 138.3
[M]+ 193.12686 132.5
[M]- 193.12796 132.5
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.