CID 74765703

Ala-boroala

Structural Information

Molecular Formula
C5H13BN2O3
SMILES
B([C@H](C)NC(=O)[C@H](C)N)(O)O
InChI
InChI=1S/C5H13BN2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4,10-11H,7H2,1-2H3,(H,8,9)/t3-,4-/m0/s1
InChIKey
CHOIZHQITXLUNX-IMJSIDKUSA-N
Compound name
[(1R)-1-[[(2S)-2-aminopropanoyl]amino]ethyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

11
Patents

160.10193 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.10921 136.0
[M+Na]+ 183.09115 140.0
[M-H]- 159.09465 133.0
[M+NH4]+ 178.13575 154.2
[M+K]+ 199.06509 140.5
[M+H-H2O]+ 143.09919 130.7
[M+HCOO]- 205.10013 155.1
[M+CH3COO]- 219.11578 179.0
[M+Na-2H]- 181.07660 136.2
[M]+ 160.10138 131.5
[M]- 160.10248 131.5
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

No patent data available for this compound.