CID 8470

Trimethyl borate

Structural Information

Molecular Formula
C3H9BO3
SMILES
B(OC)(OC)OC
InChI
InChI=1S/C3H9BO3/c1-5-4(6-2)7-3/h1-3H3
InChIKey
WRECIMRULFAWHA-UHFFFAOYSA-N
Compound name
trimethyl borate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

38
References

52850
Patents

104.064476 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.07175 116.7
[M+Na]+ 127.05369 124.6
[M-H]- 103.05720 117.4
[M+NH4]+ 122.09830 140.0
[M+K]+ 143.02763 126.9
[M+H-H2O]+ 87.061736 112.4
[M+HCOO]- 149.06268 141.0
[M+CH3COO]- 163.07833 167.4
[M+Na-2H]- 125.03914 123.9
[M]+ 104.06393 120.9
[M]- 104.06502 120.9
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