CID 94588

59277-86-0

Structural Information

Molecular Formula
C8H12N6O2
SMILES
C1=NC2=C(N=C(N=C2N1COCCO)N)N
InChI
InChI=1S/C8H12N6O2/c9-6-5-7(13-8(10)12-6)14(3-11-5)4-16-2-1-15/h3,15H,1-2,4H2,(H4,9,10,12,13)
InChIKey
CSMCRCLIPQDIKB-UHFFFAOYSA-N
Compound name
2-[(2,6-diaminopurin-9-yl)methoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

111
Patents

224.10217 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.10945 146.2
[M+Na]+ 247.09139 156.9
[M-H]- 223.09489 144.7
[M+NH4]+ 242.13599 160.8
[M+K]+ 263.06533 153.2
[M+H-H2O]+ 207.09943 137.7
[M+HCOO]- 269.10037 167.7
[M+CH3COO]- 283.11602 190.8
[M+Na-2H]- 245.07684 153.0
[M]+ 224.10162 147.6
[M]- 224.10272 147.6
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