CID 90658602

(2z,4s,5r)-2-amino-4,5,6-trihydroxyhex-2-enoate

Structural Information

Molecular Formula
C6H11NO5
SMILES
C([C@H]([C@H](/C=C(/C(=O)O)\N)O)O)O
InChI
InChI=1S/C6H11NO5/c7-3(6(11)12)1-4(9)5(10)2-8/h1,4-5,8-10H,2,7H2,(H,11,12)/b3-1-/t4-,5+/m0/s1
InChIKey
BWCRWWBHRAOURT-VYOXQMNSSA-N
Compound name
(Z,4S,5R)-2-amino-4,5,6-trihydroxyhex-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.06372 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.07100 138.5
[M+Na]+ 200.05294 142.5
[M-H]- 176.05644 132.6
[M+NH4]+ 195.09754 154.5
[M+K]+ 216.02688 141.6
[M+H-H2O]+ 160.06098 133.6
[M+HCOO]- 222.06192 154.1
[M+CH3COO]- 236.07757 173.3
[M+Na-2H]- 198.03839 137.2
[M]+ 177.06317 133.3
[M]- 177.06427 133.3
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.