CID 6455699

Isooctyl borate

Structural Information

Molecular Formula

C₈H₁₉BO₃

SMILES

B(O)(O)OCCCCCC(C)C

InChI

InChI=1S/C8H19BO3/c1-8(2)6-4-3-5-7-12-9(10)11/h8,10-11H,3-7H2,1-2H3

InChIKey

UDMIFBTZCOWXLV-UHFFFAOYSA-N

Compound name

6-methylheptoxyboronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 174.14273 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]+	175.15001	140.5
[M+Na]+	197.13195	148.3
[M+NH4]+	192.17655	146.7
[M+K]+	213.10589	144.5
[M-H]-	173.13545	138.0
[M+Na-2H]-	195.11740	141.6
[M]+	174.14218	140.5
[M]-	174.14328	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe