CID 6453628

Ns00033942

Structural Information

Molecular Formula
C6H11NO4
SMILES
C=CC(C[C@@H](C(=O)O)N)(O)O
InChI
InChI=1S/C6H11NO4/c1-2-6(10,11)3-4(7)5(8)9/h2,4,10-11H,1,3,7H2,(H,8,9)/t4-/m0/s1
InChIKey
QVSWRPUXVQJUCQ-BYPYZUCNSA-N
Compound name
(2S)-2-amino-4,4-dihydroxyhex-5-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.0688 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.076076 134.0
[M+Na]+ 184.058018 139.4
[M-H]- 160.061524 129.7
[M+NH4]+ 179.102623 151.8
[M+K]+ 200.031958 138.1
[M+H-H2O]+ 144.066060 129.9
[M+HCOO]- 206.067001 151.4
[M+CH3COO]- 220.082651 172.2
[M+Na-2H]- 182.043466 136.8
[M]+ 161.06825142 130.2
[M]- 161.06934858 130.2
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.