CID 20684

4551-95-5

Structural Information

Molecular Formula
C7H9N5O
SMILES
C1=NC2=C(N1)C(=NC=N2)NCCO
InChI
InChI=1S/C7H9N5O/c13-2-1-8-6-5-7(10-3-9-5)12-4-11-6/h3-4,13H,1-2H2,(H2,8,9,10,11,12)
InChIKey
QFSMBOBIZVSDLV-UHFFFAOYSA-N
Compound name
2-(7H-purin-6-ylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

211
Patents

179.0807 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.087976 134.8
[M+Na]+ 202.069918 144.7
[M-H]- 178.073424 132.1
[M+NH4]+ 197.114523 150.8
[M+K]+ 218.043858 140.5
[M+H-H2O]+ 162.077960 126.5
[M+HCOO]- 224.078901 155.1
[M+CH3COO]- 238.094551 146.8
[M+Na-2H]- 200.055366 144.5
[M]+ 179.08015142 134.5
[M]- 179.08124858 134.5
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