CID 45619

Brn 2066718

Structural Information

Molecular Formula
C14H36B4N2O12
SMILES
B(O)(O)OC(C)CN(CCN(CC(C)OB(O)O)CC(C)OB(O)O)CC(C)OB(O)O
InChI
InChI=1S/C14H36B4N2O12/c1-11(29-15(21)22)7-19(8-12(2)30-16(23)24)5-6-20(9-13(3)31-17(25)26)10-14(4)32-18(27)28/h11-14,21-28H,5-10H2,1-4H3
InChIKey
JVWMUNOKAVFCLP-UHFFFAOYSA-N
Compound name
1-[2-[bis(2-boronooxypropyl)amino]ethyl-(2-boronooxypropyl)amino]propan-2-yloxyboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

468.26404 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.27132 220.8
[M+Na]+ 491.25326 223.0
[M-H]- 467.25676 226.9
[M+NH4]+ 486.29786 224.3
[M+K]+ 507.22720 220.0
[M+H-H2O]+ 451.26130 218.9
[M+HCOO]- 513.26224 198.7
[M+CH3COO]- 527.27789 232.8
[M+Na-2H]- 489.23871 207.9
[M]+ 468.26349 212.4
[M]- 468.26459 212.4
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

patents stripe