CID 146165741

2287240-96-2

Structural Information

Molecular Formula

C₁₀H₁₉BO₃

SMILES

B1(OC(C(O1)(C)C)(C)C)[C@@H]2C[C@H]2CO

InChI

InChI=1S/C10H19BO3/c1-9(2)10(3,4)14-11(13-9)8-5-7(8)6-12/h7-8,12H,5-6H2,1-4H3/t7-,8+/m0/s1

InChIKey

MDHNDTVRXDFFEA-JGVFFNPUSA-N

Compound name

[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 198.14273 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	199.150006	137.9
[M+Na]+	221.131948	148.2
[M-H]-	197.135454	146.2
[M+NH4]+	216.176553	155.5
[M+K]+	237.105888	149.5
[M+H-H2O]+	181.139990	135.2
[M+HCOO]-	243.140931	156.1
[M+CH3COO]-	257.156581	185.7
[M+Na-2H]-	219.117396	144.1
[M]+	198.14218142	143.6
[M]-	198.14327858	143.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.