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

literature stripe

Patent stripe

patents stripe