CID 490434

9-[(1r,4s)-4-methylsulfanylcyclopent-2-en-1-yl]purin-6-amine

Structural Information

Molecular Formula
C11H13N5S
SMILES
CS[C@H]1C[C@H](C=C1)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C11H13N5S/c1-17-8-3-2-7(4-8)16-6-15-9-10(12)13-5-14-11(9)16/h2-3,5-8H,4H2,1H3,(H2,12,13,14)/t7-,8+/m0/s1
InChIKey
RHDRNTNWYURPSP-JGVFFNPUSA-N
Compound name
9-[(1R,4S)-4-methylsulfanylcyclopent-2-en-1-yl]purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

247.08917 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.09645 152.7
[M+Na]+ 270.07839 165.1
[M-H]- 246.08189 156.6
[M+NH4]+ 265.12299 170.3
[M+K]+ 286.05233 160.3
[M+H-H2O]+ 230.08643 145.0
[M+HCOO]- 292.08737 170.2
[M+CH3COO]- 306.10302 165.5
[M+Na-2H]- 268.06384 154.0
[M]+ 247.08862 155.7
[M]- 247.08972 155.7
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

No patent data available for this compound.