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

1
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

patents stripe