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

141
Patents

172.09602 Da
Monoisotopic Mass

-4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.103296 137.0
[M+Na]+ 195.085238 142.5
[M-H]- 171.088744 134.4
[M+NH4]+ 190.129843 153.6
[M+K]+ 211.059178 140.5
[M+H-H2O]+ 155.093280 129.8
[M+HCOO]- 217.094221 155.6
[M+CH3COO]- 231.109871 178.2
[M+Na-2H]- 193.070686 138.0
[M]+ 172.09547142 130.0
[M]- 172.09656858 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.