CID 469538

2-aminopropylboronic acid

Structural Information

Molecular Formula
C3H10BNO2
SMILES
B(CC(C)N)(O)O
InChI
InChI=1S/C3H10BNO2/c1-3(5)2-4(6)7/h3,6-7H,2,5H2,1H3
InChIKey
JQGGAOCQWJESIT-UHFFFAOYSA-N
Compound name
2-aminopropylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

103.08046 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.08774 120.9
[M+Na]+ 126.06968 126.8
[M-H]- 102.07318 118.2
[M+NH4]+ 121.11428 142.0
[M+K]+ 142.04362 126.8
[M+H-H2O]+ 86.077720 116.6
[M+HCOO]- 148.07866 141.2
[M+CH3COO]- 162.09431 165.1
[M+Na-2H]- 124.05513 124.5
[M]+ 103.07991 117.2
[M]- 103.08101 117.2
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

No patent data available for this compound.