CID 74765888

Lys-boroala

Structural Information

Molecular Formula
C8H20BN3O3
SMILES
B([C@H](C)NC(=O)[C@H](CCCCN)N)(O)O
InChI
InChI=1S/C8H20BN3O3/c1-6(9(14)15)12-8(13)7(11)4-2-3-5-10/h6-7,14-15H,2-5,10-11H2,1H3,(H,12,13)/t6-,7-/m0/s1
InChIKey
AMHHUDCEBUNULL-BQBZGAKWSA-N
Compound name
[(1R)-1-[[(2S)-2,6-diaminohexanoyl]amino]ethyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

217.15977 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.16705 152.7
[M+Na]+ 240.14899 154.6
[M-H]- 216.15249 148.6
[M+NH4]+ 235.19359 167.9
[M+K]+ 256.12293 154.3
[M+H-H2O]+ 200.15703 146.2
[M+HCOO]- 262.15797 171.2
[M+CH3COO]- 276.17362 193.0
[M+Na-2H]- 238.13444 150.6
[M]+ 217.15922 147.5
[M]- 217.16032 147.5
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.