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]+ 193.11963 140.6
[M+Na]+ 215.10157 150.8
[M-H]- 191.10507 141.0
[M+NH4]+ 210.14617 157.5
[M+K]+ 231.07551 148.0
[M+H-H2O]+ 175.10961 131.8
[M+HCOO]- 237.11055 163.4
[M+CH3COO]- 251.12620 153.3
[M+Na-2H]- 213.08702 149.3
[M]+ 192.11180 142.0
[M]- 192.11290 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