CID 135435070

3h-purin-6-amine, 3-pentyl-

Structural Information

Molecular Formula
C10H15N5
SMILES
CCCCCN1C=NC(=N)C2=C1N=CN2
InChI
InChI=1S/C10H15N5/c1-2-3-4-5-15-7-14-9(11)8-10(15)13-6-12-8/h6-7,11H,2-5H2,1H3,(H,12,13)
InChIKey
JUJGAOQCDIRJSW-UHFFFAOYSA-N
Compound name
3-pentyl-7H-purin-6-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

205.13275 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.14003 145.8
[M+Na]+ 228.12197 156.2
[M-H]- 204.12547 144.3
[M+NH4]+ 223.16657 161.9
[M+K]+ 244.09591 151.0
[M+H-H2O]+ 188.13001 137.2
[M+HCOO]- 250.13095 166.5
[M+CH3COO]- 264.14660 157.7
[M+Na-2H]- 226.10742 153.4
[M]+ 205.13220 146.7
[M]- 205.13330 146.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.