CID 216397

94266-00-9

Structural Information

Molecular Formula
C21H48BN3O3
SMILES
B(OCC(C)(C)CN(C)C)(OCC(C)(C)CN(C)C)OCC(C)(C)CN(C)C
InChI
InChI=1S/C21H48BN3O3/c1-19(2,13-23(7)8)16-26-22(27-17-20(3,4)14-24(9)10)28-18-21(5,6)15-25(11)12/h13-18H2,1-12H3
InChIKey
ZOMVQCXUYPVEPS-UHFFFAOYSA-N
Compound name
tris[3-(dimethylamino)-2,2-dimethylpropyl] borate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.37888 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.386156 217.7
[M+Na]+ 424.368098 231.2
[M-H]- 400.371604 223.5
[M+NH4]+ 419.412703 230.2
[M+K]+ 440.342038 229.6
[M+H-H2O]+ 384.376140 197.8
[M+HCOO]- 446.377081 224.7
[M+CH3COO]- 460.392731 247.3
[M+Na-2H]- 422.353546 205.1
[M]+ 401.37833142 221.1
[M]- 401.37942858 221.1
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

No patent data available for this compound.