CID 12712

Tributyl borate

Structural Information

Molecular Formula
C12H27BO3
SMILES
B(OCCCC)(OCCCC)OCCCC
InChI
InChI=1S/C12H27BO3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3
InChIKey
LGQXXHMEBUOXRP-UHFFFAOYSA-N
Compound name
tributyl borate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

15892
Patents

230.20532 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.21260 158.9
[M+Na]+ 253.19454 163.0
[M-H]- 229.19804 157.9
[M+NH4]+ 248.23914 177.1
[M+K]+ 269.16848 162.9
[M+H-H2O]+ 213.20258 152.8
[M+HCOO]- 275.20352 180.2
[M+CH3COO]- 289.21917 194.4
[M+Na-2H]- 251.17999 161.1
[M]+ 230.20477 166.6
[M]- 230.20587 166.6
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