CID 95023

7h-purine, 2-dimethylamino-6-methylamino-

Structural Information

Molecular Formula
C8H12N6
SMILES
CNC1=NC(=NC2=C1NC=N2)N(C)C
InChI
InChI=1S/C8H12N6/c1-9-6-5-7(11-4-10-5)13-8(12-6)14(2)3/h4H,1-3H3,(H2,9,10,11,12,13)
InChIKey
CSGNOJPTWXPYBJ-UHFFFAOYSA-N
Compound name
2-N,2-N,6-N-trimethyl-7H-purine-2,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

192.11235 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.119626 140.6
[M+Na]+ 215.101568 150.8
[M-H]- 191.105074 141.0
[M+NH4]+ 210.146173 157.5
[M+K]+ 231.075508 148.0
[M+H-H2O]+ 175.109610 131.8
[M+HCOO]- 237.110551 163.4
[M+CH3COO]- 251.126201 153.3
[M+Na-2H]- 213.087016 149.3
[M]+ 192.11180142 142.0
[M]- 192.11289858 142.0
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

patents stripe