CID 286591

9-(3-chloropropyl)-9h-purin-6-amine

Structural Information

Molecular Formula
C8H10ClN5
SMILES
C1=NC(=C2C(=N1)N(C=N2)CCCCl)N
InChI
InChI=1S/C8H10ClN5/c9-2-1-3-14-5-13-6-7(10)11-4-12-8(6)14/h4-5H,1-3H2,(H2,10,11,12)
InChIKey
KOHPHILWKWZSJR-UHFFFAOYSA-N
Compound name
9-(3-chloropropyl)purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

211.06247 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.069746 142.9
[M+Na]+ 234.051688 154.9
[M-H]- 210.055194 142.2
[M+NH4]+ 229.096293 159.9
[M+K]+ 250.025628 149.7
[M+H-H2O]+ 194.059730 134.4
[M+HCOO]- 256.060671 160.2
[M+CH3COO]- 270.076321 155.5
[M+Na-2H]- 232.037136 150.5
[M]+ 211.06192142 146.3
[M]- 211.06301858 146.3
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