CID 82594

Monoethanolamine borate

Structural Information

Molecular Formula
C2H8BNO3
SMILES
B(O)(O)OCCN
InChI
InChI=1S/C2H8BNO3/c4-1-2-7-3(5)6/h5-6H,1-2,4H2
InChIKey
JCAYXDKNUSEQRT-UHFFFAOYSA-N
Compound name
2-aminoethoxyboronic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

791
Patents

105.05972 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.06700 118.1
[M+Na]+ 128.04894 124.6
[M-H]- 104.05244 115.4
[M+NH4]+ 123.09354 139.1
[M+K]+ 144.02288 124.8
[M+H-H2O]+ 88.056980 113.7
[M+HCOO]- 150.05792 140.0
[M+CH3COO]- 164.07357 163.3
[M+Na-2H]- 126.03439 123.7
[M]+ 105.05917 116.2
[M]- 105.06027 116.2
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