CID 12134

Tripentyl borate

Structural Information

Molecular Formula
C15H33BO3
SMILES
B(OCCCCC)(OCCCCC)OCCCCC
InChI
InChI=1S/C15H33BO3/c1-4-7-10-13-17-16(18-14-11-8-5-2)19-15-12-9-6-3/h4-15H2,1-3H3
InChIKey
JLPJTCGUKOBWRJ-UHFFFAOYSA-N
Compound name
tripentyl borate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3557
Patents

272.2523 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.25958 172.6
[M+Na]+ 295.24152 175.5
[M-H]- 271.24502 171.1
[M+NH4]+ 290.28612 189.2
[M+K]+ 311.21546 174.6
[M+H-H2O]+ 255.24956 165.9
[M+HCOO]- 317.25050 193.0
[M+CH3COO]- 331.26615 203.3
[M+Na-2H]- 293.22697 173.3
[M]+ 272.25175 181.5
[M]- 272.25285 181.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe