CID 5318134

Deoxyeritadenine

Structural Information

Molecular Formula
C9H11N5O3
SMILES
C1=NC(=C2C(=N1)N(C=N2)CCC(C(=O)O)O)N
InChI
InChI=1S/C9H11N5O3/c10-7-6-8(12-3-11-7)14(4-13-6)2-1-5(15)9(16)17/h3-5,15H,1-2H2,(H,16,17)(H2,10,11,12)
InChIKey
NWPWVFAEENVVJM-UHFFFAOYSA-N
Compound name
4-(6-aminopurin-9-yl)-2-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

237.08618 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.09346 150.0
[M+Na]+ 260.07540 159.3
[M-H]- 236.07890 147.3
[M+NH4]+ 255.12000 163.3
[M+K]+ 276.04934 156.0
[M+H-H2O]+ 220.08344 141.8
[M+HCOO]- 282.08438 167.6
[M+CH3COO]- 296.10003 188.8
[M+Na-2H]- 258.06085 154.7
[M]+ 237.08563 150.7
[M]- 237.08673 150.7
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.