CID 657085

Dehydro-2(s)-amino-6-boronohexanoic acid

Structural Information

Molecular Formula
C6H13BNO5
SMILES
[B-](/C=C/CC[C@@H](C(=O)O)N)(O)(O)O
InChI
InChI=1S/C6H13BNO5/c8-5(6(9)10)3-1-2-4-7(11,12)13/h2,4-5,11-13H,1,3,8H2,(H,9,10)/q-1/b4-2+/t5-/m0/s1
InChIKey
CCCYGXMAMSUXAV-FYTLMZHYSA-N
Compound name
[(E,5S)-5-amino-5-carboxypent-1-enyl]-trihydroxyboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.08868 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.09596 139.3
[M+Na]+ 213.07790 143.4
[M-H]- 189.08140 131.6
[M+NH4]+ 208.12250 154.5
[M+K]+ 229.05184 141.5
[M+H-H2O]+ 173.08594 137.3
[M+HCOO]- 235.08688 154.5
[M+CH3COO]- 249.10253 170.0
[M+Na-2H]- 211.06335 140.6
[M]+ 190.08813 132.8
[M]- 190.08923 132.8
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.