CID 104994

1,n6-ethenoadenine

Structural Information

Molecular Formula

C₇H₅N₅

SMILES

C1=CN2C=NC3=C(C2=N1)NC=N3

InChI

InChI=1S/C7H5N5/c1-2-12-4-11-6-5(7(12)8-1)9-3-10-6/h1-4H,(H,9,10)

InChIKey

OGVOXGPIHFKUGM-UHFFFAOYSA-N

Compound name

1H-imidazo[2,1-f]purine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 170
References: 1632
Patents: 159.05449 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	160.06177	128.5
[M+Na]+	182.04371	142.2
[M-H]-	158.04721	127.8
[M+NH4]+	177.08831	147.8
[M+K]+	198.01765	137.9
[M+H-H2O]+	142.05175	120.2
[M+HCOO]-	204.05269	149.7
[M+CH3COO]-	218.06834	142.5
[M+Na-2H]-	180.02916	138.4
[M]+	159.05394	131.1
[M]-	159.05504	131.1

Literature stripe

literature stripe

Patent stripe

patents stripe