CID 3075659

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

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	218.140026	160.1
[M+Na]+	240.121968	172.1
[M-H]-	216.125474	164.8
[M+NH4]+	235.166573	171.9
[M+K]+	256.095908	167.0
[M+H-H2O]+	200.130010	150.3
[M+HCOO]-	262.130951	182.5
[M+CH3COO]-	276.146601	172.0
[M+Na-2H]-	238.107416	165.8
[M]+	217.13220142	165.4
[M]-	217.13329858	165.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.