CID 454007

6cl2amp-9(etoh-2yl)

Structural Information

Molecular Formula
C7H8ClN5O
SMILES
C1=NC2=C(N1CCO)N=C(N=C2Cl)N
InChI
InChI=1S/C7H8ClN5O/c8-5-4-6(12-7(9)11-5)13(1-2-14)3-10-4/h3,14H,1-2H2,(H2,9,11,12)
InChIKey
WQKIBCUFNPRPCH-UHFFFAOYSA-N
Compound name
2-(2-amino-6-chloropurin-9-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

213.04173 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.04901 142.1
[M+Na]+ 236.03095 154.9
[M-H]- 212.03445 140.7
[M+NH4]+ 231.07555 158.5
[M+K]+ 252.00489 149.6
[M+H-H2O]+ 196.03899 134.4
[M+HCOO]- 258.03993 158.4
[M+CH3COO]- 272.05558 154.7
[M+Na-2H]- 234.01640 149.0
[M]+ 213.04118 145.1
[M]- 213.04228 145.1
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