CID 136226467

(3s)-3-hydroxy-l-enduracididine(1+)

Structural Information

Molecular Formula
C6H12N4O3
SMILES
C1[C@H](N=C(N1)N)[C@@H]([C@@H](C(=O)O)N)O
InChI
InChI=1S/C6H12N4O3/c7-3(5(12)13)4(11)2-1-9-6(8)10-2/h2-4,11H,1,7H2,(H,12,13)(H3,8,9,10)/t2-,3-,4-/m0/s1
InChIKey
RFBWLSHSKDHIQO-HZLVTQRSSA-N
Compound name
(2S,3R)-2-amino-3-[(4S)-2-amino-4,5-dihydro-1H-imidazol-4-yl]-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

188.09094 Da
Monoisotopic Mass

-5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.09822 139.5
[M+Na]+ 211.08016 143.6
[M+NH4]+ 206.12476 143.2
[M+K]+ 227.05410 145.8
[M-H]- 187.08366 136.2
[M+Na-2H]- 209.06561 139.1
[M]+ 188.09039 138.1
[M]- 188.09149 138.1
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.