CID 12852

9-cyclopentyladenine

Structural Information

Molecular Formula
C10H13N5
SMILES
C1CCC(C1)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C10H13N5/c11-9-8-10(13-5-12-9)15(6-14-8)7-3-1-2-4-7/h5-7H,1-4H2,(H2,11,12,13)
InChIKey
KTJWHJNBTXITCB-UHFFFAOYSA-N
Compound name
9-cyclopentylpurin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

116
Patents

203.1171 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.12438 142.5
[M+Na]+ 226.10632 152.2
[M-H]- 202.10982 145.3
[M+NH4]+ 221.15092 160.3
[M+K]+ 242.08026 148.4
[M+H-H2O]+ 186.11436 133.2
[M+HCOO]- 248.11530 163.5
[M+CH3COO]- 262.13095 155.0
[M+Na-2H]- 224.09177 147.0
[M]+ 203.11655 140.6
[M]- 203.11765 140.6
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