CID 5248632

40293-19-4

Structural Information

Molecular Formula
C7H10N6
SMILES
C1=NC(=C2C(=N1)N(C=N2)CCN)N
InChI
InChI=1S/C7H10N6/c8-1-2-13-4-12-5-6(9)10-3-11-7(5)13/h3-4H,1-2,8H2,(H2,9,10,11)
InChIKey
WWGYBDUMTIQRLK-UHFFFAOYSA-N
Compound name
9-(2-aminoethyl)purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

24
Patents

178.0967 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.10398 135.5
[M+Na]+ 201.08592 146.6
[M-H]- 177.08942 135.1
[M+NH4]+ 196.13052 152.6
[M+K]+ 217.05986 142.8
[M+H-H2O]+ 161.09396 127.0
[M+HCOO]- 223.09490 158.5
[M+CH3COO]- 237.11055 148.4
[M+Na-2H]- 199.07137 144.0
[M]+ 178.09615 135.4
[M]- 178.09725 135.4
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

No patent data available for this compound.