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

literature stripe

Patent stripe

patents stripe