CID 21531

Triisopropyl borate

Structural Information

Molecular Formula
C9H21BO3
SMILES
B(OC(C)C)(OC(C)C)OC(C)C
InChI
InChI=1S/C9H21BO3/c1-7(2)11-10(12-8(3)4)13-9(5)6/h7-9H,1-6H3
InChIKey
NHDIQVFFNDKAQU-UHFFFAOYSA-N
Compound name
tripropan-2-yl borate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

7
References

27621
Patents

188.15837 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.165646 145.2
[M+Na]+ 211.147588 150.1
[M-H]- 187.151094 145.2
[M+NH4]+ 206.192193 165.0
[M+K]+ 227.121528 152.2
[M+H-H2O]+ 171.155630 140.1
[M+HCOO]- 233.156571 164.6
[M+CH3COO]- 247.172221 188.1
[M+Na-2H]- 209.133036 145.4
[M]+ 188.15782142 149.9
[M]- 188.15891858 149.9
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