CID 521497

N2,n2-dimethyl-9h-purine-2,6-diamine

Structural Information

Molecular Formula
C7H10N6
SMILES
CN(C)C1=NC(=C2C(=N1)N=CN2)N
InChI
InChI=1S/C7H10N6/c1-13(2)7-11-5(8)4-6(12-7)10-3-9-4/h3H,1-2H3,(H3,8,9,10,11,12)
InChIKey
ZMIYNNVNJUDTED-UHFFFAOYSA-N
Compound name
2-N,2-N-dimethyl-7H-purine-2,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
Patents

178.0967 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.10398 136.3
[M+Na]+ 201.08592 147.0
[M-H]- 177.08942 136.5
[M+NH4]+ 196.13052 153.5
[M+K]+ 217.05986 144.1
[M+H-H2O]+ 161.09396 127.8
[M+HCOO]- 223.09490 158.9
[M+CH3COO]- 237.11055 149.3
[M+Na-2H]- 199.07137 144.5
[M]+ 178.09615 136.5
[M]- 178.09725 136.5
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

patents stripe