CID 22620828

Furfuryl adenine

Structural Information

Molecular Formula
C10H9N5O
SMILES
C1=COC(=C1)CC2=NC(=C3C(=N2)N=CN3)N
InChI
InChI=1S/C10H9N5O/c11-9-8-10(13-5-12-8)15-7(14-9)4-6-2-1-3-16-6/h1-3,5H,4H2,(H3,11,12,13,14,15)
InChIKey
KBQRJRIGUDBCTM-UHFFFAOYSA-N
Compound name
2-(furan-2-ylmethyl)-7H-purin-6-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

329
Patents

215.0807 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.087976 143.0
[M+Na]+ 238.069918 154.3
[M-H]- 214.073424 145.8
[M+NH4]+ 233.114523 158.4
[M+K]+ 254.043858 150.5
[M+H-H2O]+ 198.077960 134.3
[M+HCOO]- 260.078901 164.5
[M+CH3COO]- 274.094551 155.9
[M+Na-2H]- 236.055366 149.5
[M]+ 215.08015142 144.1
[M]- 215.08124858 144.1
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