CID 242652

2-(6-aminopurin-9-yl)ethanol

Structural Information

Molecular Formula
C7H9N5O
SMILES
C1=NC(=C2C(=N1)N(C=N2)CCO)N
InChI
InChI=1S/C7H9N5O/c8-6-5-7(10-3-9-6)12(1-2-13)4-11-5/h3-4,13H,1-2H2,(H2,8,9,10)
InChIKey
VAQOTZQDXZDBJK-UHFFFAOYSA-N
Compound name
2-(6-aminopurin-9-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

485
Patents

179.0807 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.087976 135.8
[M+Na]+ 202.069918 147.1
[M-H]- 178.073424 134.4
[M+NH4]+ 197.114523 152.6
[M+K]+ 218.043858 143.4
[M+H-H2O]+ 162.077960 127.6
[M+HCOO]- 224.078901 157.0
[M+CH3COO]- 238.094551 148.6
[M+Na-2H]- 200.055366 144.1
[M]+ 179.08015142 136.7
[M]- 179.08124858 136.7
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