CID 3901662

2-ethoxy-9h-purin-6-amine

Structural Information

Molecular Formula
C7H9N5O
SMILES
CCOC1=NC(=C2C(=N1)N=CN2)N
InChI
InChI=1S/C7H9N5O/c1-2-13-7-11-5(8)4-6(12-7)10-3-9-4/h3H,2H2,1H3,(H3,8,9,10,11,12)
InChIKey
KIEBAXZTHIOTLA-UHFFFAOYSA-N
Compound name
2-ethoxy-7H-purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
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 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

No literature data available for this compound.

Patent stripe

patents stripe