CID 105596

Ethanol, 2,2'-[[2-(boronooxy)ethyl]imino]bis-

Structural Information

Molecular Formula
C6H16BNO5
SMILES
B(O)(O)OCCN(CCO)CCO
InChI
InChI=1S/C6H16BNO5/c9-4-1-8(2-5-10)3-6-13-7(11)12/h9-12H,1-6H2
InChIKey
QEXMFMXQAVEPEQ-UHFFFAOYSA-N
Compound name
2-[bis(2-hydroxyethyl)amino]ethoxyboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

193.11215 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11943 141.5
[M+Na]+ 216.10137 145.4
[M-H]- 192.10487 137.1
[M+NH4]+ 211.14597 158.2
[M+K]+ 232.07531 145.6
[M+H-H2O]+ 176.10941 135.9
[M+HCOO]- 238.11035 160.6
[M+CH3COO]- 252.12600 178.8
[M+Na-2H]- 214.08682 144.3
[M]+ 193.11160 142.4
[M]- 193.11270 142.4
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