CID 414708

9-cyclopropyl-9h-purin-6-amine

Structural Information

Molecular Formula
C8H9N5
SMILES
C1CC1N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C8H9N5/c9-7-6-8(11-3-10-7)13(4-12-6)5-1-2-5/h3-5H,1-2H2,(H2,9,10,11)
InChIKey
QKMZACGKMJHVSI-UHFFFAOYSA-N
Compound name
9-cyclopropylpurin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

175.0858 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.09308 146.2
[M+Na]+ 198.07502 159.5
[M-H]- 174.07852 149.6
[M+NH4]+ 193.11962 158.9
[M+K]+ 214.04896 153.5
[M+H-H2O]+ 158.08306 137.3
[M+HCOO]- 220.08400 168.6
[M+CH3COO]- 234.09965 158.7
[M+Na-2H]- 196.06047 153.3
[M]+ 175.08525 148.5
[M]- 175.08635 148.5
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