CID 44144992

Boric acid, methylcyclohexyl ester

Structural Information

Molecular Formula

C₇H₁₅BO₃

SMILES

B(O)(O)OC1(CCCCC1)C

InChI

InChI=1S/C7H15BO3/c1-7(11-8(9)10)5-3-2-4-6-7/h9-10H,2-6H2,1H3

InChIKey

JBFDXICVFSHFSG-UHFFFAOYSA-N

Compound name

(1-methylcyclohexyl)oxyboronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 158.11142 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]+	159.11870	134.5
[M+Na]+	181.10064	139.0
[M-H]-	157.10414	134.7
[M+NH4]+	176.14524	155.6
[M+K]+	197.07458	138.5
[M+H-H2O]+	141.10868	130.2
[M+HCOO]-	203.10962	151.7
[M+CH3COO]-	217.12527	170.0
[M+Na-2H]-	179.08609	139.3
[M]+	158.11087	130.0
[M]-	158.11197	130.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe