CID 3830

Kinetin

Structural Information

Molecular Formula
C10H9N5O
SMILES
C1=COC(=C1)CNC2=NC=NC3=C2NC=N3
InChI
InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15)
InChIKey
QANMHLXAZMSUEX-UHFFFAOYSA-N
Compound name
N-(furan-2-ylmethyl)-7H-purin-6-amine
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

974
References

50590
Patents

215.0807 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.087976 141.4
[M+Na]+ 238.069918 151.7
[M-H]- 214.073424 144.3
[M+NH4]+ 233.114523 156.7
[M+K]+ 254.043858 148.4
[M+H-H2O]+ 198.077960 132.4
[M+HCOO]- 260.078901 163.5
[M+CH3COO]- 274.094551 154.2
[M+Na-2H]- 236.055366 149.7
[M]+ 215.08015142 143.0
[M]- 215.08124858 143.0
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