CID 225550

Triisopropanolamine borate

Structural Information

Molecular Formula
C9H18BNO3
SMILES
B12OC(CN(CC(O1)C)CC(O2)C)C
InChI
InChI=1S/C9H18BNO3/c1-7-4-11-5-8(2)13-10(12-7)14-9(3)6-11/h7-9H,4-6H2,1-3H3
InChIKey
IWKGJTDSJPLUCE-UHFFFAOYSA-N
Compound name
3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

221
Patents

199.13797 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.14525 114.6
[M+Na]+ 222.12719 114.6
[M-H]- 198.13069 114.6
[M+NH4]+ 217.17179 114.6
[M+K]+ 238.10113 114.7
[M+H-H2O]+ 182.13523 114.5
[M+HCOO]- 244.13617 114.6
[M+CH3COO]- 258.15182 114.5
[M+Na-2H]- 220.11264 114.4
[M]+ 199.13742 114.6
[M]- 199.13852 114.6
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