CID 3075660

9h-purin-6-amine, n-cyclopropyl-9-(cyclopropylmethyl)-

Structural Information

Molecular Formula
C12H15N5
SMILES
C1CC1CN2C=NC3=C(N=CN=C32)NC4CC4
InChI
InChI=1S/C12H15N5/c1-2-8(1)5-17-7-15-10-11(16-9-3-4-9)13-6-14-12(10)17/h6-9H,1-5H2,(H,13,14,16)
InChIKey
JEWJPJXPOUFBMO-UHFFFAOYSA-N
Compound name
N-cyclopropyl-9-(cyclopropylmethyl)purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

229.13275 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.14003 176.8
[M+Na]+ 252.12197 186.8
[M-H]- 228.12547 182.0
[M+NH4]+ 247.16657 181.3
[M+K]+ 268.09591 180.4
[M+H-H2O]+ 212.13001 168.2
[M+HCOO]- 274.13095 195.8
[M+CH3COO]- 288.14660 185.0
[M+Na-2H]- 250.10742 179.6
[M]+ 229.13220 180.5
[M]- 229.13330 180.5
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.