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

143
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

literature stripe

Patent stripe

patents stripe