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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.15001 142.2
[M+Na]+ 197.13195 146.9
[M-H]- 173.13545 139.2
[M+NH4]+ 192.17655 161.1
[M+K]+ 213.10589 146.5
[M+H-H2O]+ 157.13999 137.4
[M+HCOO]- 219.14093 160.8
[M+CH3COO]- 233.15658 178.0
[M+Na-2H]- 195.11740 144.2
[M]+ 174.14218 143.8
[M]- 174.14328 143.8
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