CID 135438588

3-(3-methylbut-2-en-1-yl)-3h-purin-6-amine

Structural Information

Molecular Formula
C10H13N5
SMILES
CC(=CCN1C=NC(=N)C2=C1N=CN2)C
InChI
InChI=1S/C10H13N5/c1-7(2)3-4-15-6-14-9(11)8-10(15)13-5-12-8/h3,5-6,11H,4H2,1-2H3,(H,12,13)
InChIKey
DEAOYWWBDXWSOD-UHFFFAOYSA-N
Compound name
3-(3-methylbut-2-enyl)-7H-purin-6-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

83
Patents

203.1171 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.12438 145.9
[M+Na]+ 226.10632 156.4
[M-H]- 202.10982 144.7
[M+NH4]+ 221.15092 161.9
[M+K]+ 242.08026 151.0
[M+H-H2O]+ 186.11436 137.5
[M+HCOO]- 248.11530 165.8
[M+CH3COO]- 262.13095 157.7
[M+Na-2H]- 224.09177 152.3
[M]+ 203.11655 145.4
[M]- 203.11765 145.4
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