CID 105701

Einecs 267-232-4

Structural Information

Molecular Formula
C8H19BN2O4
SMILES
B1(OCCNCCO1)N(CCO)CCO
InChI
InChI=1S/C8H19BN2O4/c12-5-3-11(4-6-13)9-14-7-1-10-2-8-15-9/h10,12-13H,1-8H2
InChIKey
ZQJBYMDNENDMAM-UHFFFAOYSA-N
Compound name
2-[1,3,6,2-dioxazaborocan-2-yl(2-hydroxyethyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.14378 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.15106 148.2
[M+Na]+ 241.13300 151.2
[M-H]- 217.13650 148.4
[M+NH4]+ 236.17760 154.0
[M+K]+ 257.10694 152.8
[M+H-H2O]+ 201.14104 144.2
[M+HCOO]- 263.14198 155.0
[M+CH3COO]- 277.15763 222.3
[M+Na-2H]- 239.11845 149.2
[M]+ 218.14323 146.9
[M]- 218.14433 146.9
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.