CID 3075659

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

Structural Information

Molecular Formula
C11H15N5
SMILES
CN(C)C1=NC=NC2=C1N=CN2CC3CC3
InChI
InChI=1S/C11H15N5/c1-15(2)10-9-11(13-6-12-10)16(7-14-9)5-8-3-4-8/h6-8H,3-5H2,1-2H3
InChIKey
VVEHPZBQBATSMK-UHFFFAOYSA-N
Compound name
9-(cyclopropylmethyl)-N,N-dimethylpurin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

217.13275 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.14003 160.1
[M+Na]+ 240.12197 172.1
[M-H]- 216.12547 164.8
[M+NH4]+ 235.16657 171.9
[M+K]+ 256.09591 167.0
[M+H-H2O]+ 200.13001 150.3
[M+HCOO]- 262.13095 182.5
[M+CH3COO]- 276.14660 172.0
[M+Na-2H]- 238.10742 165.8
[M]+ 217.13220 165.4
[M]- 217.13330 165.4
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

No patent data available for this compound.