CID 3007960

7-(2-chloroethoxymethyl)purin-6-amine

Structural Information

Molecular Formula
C8H10ClN5O
SMILES
C1=NC(=C2C(=N1)N=CN2COCCCl)N
InChI
InChI=1S/C8H10ClN5O/c9-1-2-15-5-14-4-13-8-6(14)7(10)11-3-12-8/h3-4H,1-2,5H2,(H2,10,11,12)
InChIKey
NQPFYXKRBLBAHY-UHFFFAOYSA-N
Compound name
7-(2-chloroethoxymethyl)purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

227.05739 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.06467 145.3
[M+Na]+ 250.04661 157.1
[M-H]- 226.05011 144.5
[M+NH4]+ 245.09121 161.5
[M+K]+ 266.02055 152.4
[M+H-H2O]+ 210.05465 136.6
[M+HCOO]- 272.05559 162.7
[M+CH3COO]- 286.07124 157.7
[M+Na-2H]- 248.03206 152.9
[M]+ 227.05684 150.0
[M]- 227.05794 150.0
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