CID 159961

Eritadenine

Structural Information

Molecular Formula
C9H11N5O4
SMILES
C1=NC(=C2C(=N1)N(C=N2)C[C@H]([C@H](C(=O)O)O)O)N
InChI
InChI=1S/C9H11N5O4/c10-7-5-8(12-2-11-7)14(3-13-5)1-4(15)6(16)9(17)18/h2-4,6,15-16H,1H2,(H,17,18)(H2,10,11,12)/t4-,6-/m1/s1
InChIKey
LIEMBEWXEZJEEZ-INEUFUBQSA-N
Compound name
(2R,3R)-4-(6-aminopurin-9-yl)-2,3-dihydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

30
References

1738
Patents

253.0811 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.088376 152.6
[M+Na]+ 276.070318 160.9
[M-H]- 252.073824 148.8
[M+NH4]+ 271.114923 164.4
[M+K]+ 292.044258 158.1
[M+H-H2O]+ 236.078360 144.8
[M+HCOO]- 298.079301 167.9
[M+CH3COO]- 312.094951 189.9
[M+Na-2H]- 274.055766 155.9
[M]+ 253.08055142 152.3
[M]- 253.08164858 152.3
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