CID 15284838

L-enduracididine(1+)

Structural Information

Molecular Formula
C6H12N4O2
SMILES
C1[C@H](NC(=N1)N)C[C@@H](C(=O)O)N
InChI
InChI=1S/C6H12N4O2/c7-4(5(11)12)1-3-2-9-6(8)10-3/h3-4H,1-2,7H2,(H,11,12)(H3,8,9,10)/t3-,4+/m1/s1
InChIKey
VFXRPXBQCNHQRQ-DMTCNVIQSA-N
Compound name
(2S)-2-amino-3-[(5R)-2-amino-4,5-dihydro-1H-imidazol-5-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

135
Patents

172.09602 Da
Monoisotopic Mass

-4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.10330 137.0
[M+Na]+ 195.08524 142.5
[M-H]- 171.08874 134.4
[M+NH4]+ 190.12984 153.6
[M+K]+ 211.05918 140.5
[M+H-H2O]+ 155.09328 129.8
[M+HCOO]- 217.09422 155.6
[M+CH3COO]- 231.10987 178.2
[M+Na-2H]- 193.07069 138.0
[M]+ 172.09547 130.0
[M]- 172.09657 130.0
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.