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 140.2
[M+Na]+ 211.08016 144.8
[M-H]- 187.08366 136.4
[M+NH4]+ 206.12476 155.3
[M+K]+ 227.05410 143.2
[M+H-H2O]+ 171.08820 133.1
[M+HCOO]- 233.08914 156.5
[M+CH3COO]- 247.10479 179.3
[M+Na-2H]- 209.06561 139.6
[M]+ 188.09039 132.2
[M]- 188.09149 132.2
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.