CID 469540

(1-amino-2-methylpropyl)boronic acid

Structural Information

Molecular Formula
C4H12BNO2
SMILES
B(C(C(C)C)N)(O)O
InChI
InChI=1S/C4H12BNO2/c1-3(2)4(6)5(7)8/h3-4,7-8H,6H2,1-2H3
InChIKey
AIUDHUUVWREDAS-UHFFFAOYSA-N
Compound name
(1-amino-2-methylpropyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

117.09611 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.10339 125.9
[M+Na]+ 140.08533 131.2
[M-H]- 116.08883 123.1
[M+NH4]+ 135.12993 146.4
[M+K]+ 156.05927 131.4
[M+H-H2O]+ 100.09337 121.5
[M+HCOO]- 162.09431 144.9
[M+CH3COO]- 176.10996 169.1
[M+Na-2H]- 138.07078 127.7
[M]+ 117.09556 121.9
[M]- 117.09666 121.9
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.