CID 25200479

6-(n-isopent-2-enyl-n-methylamino)-purine

Structural Information

Molecular Formula
C12H16N4
SMILES
CC(CC=C(C)C)C1=C2C(=NC=N1)N=CN2
InChI
InChI=1S/C12H16N4/c1-8(2)4-5-9(3)10-11-12(15-6-13-10)16-7-14-11/h4,6-7,9H,5H2,1-3H3,(H,13,14,15,16)
InChIKey
ARJBIAHZHYEFJG-UHFFFAOYSA-N
Compound name
6-(5-methylhex-4-en-2-yl)-7H-purine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

216.1375 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.14478 151.5
[M+Na]+ 239.12672 160.5
[M-H]- 215.13022 149.6
[M+NH4]+ 234.17132 167.0
[M+K]+ 255.10066 155.9
[M+H-H2O]+ 199.13476 142.8
[M+HCOO]- 261.13570 168.5
[M+CH3COO]- 275.15135 187.3
[M+Na-2H]- 237.11217 155.9
[M]+ 216.13695 152.0
[M]- 216.13805 152.0
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.