CID 454003

2-(6-methoxypurin-9-yl)propan-1-ol

Structural Information

Molecular Formula
C9H12N4O2
SMILES
CC(CO)N1C=NC2=C1N=CN=C2OC
InChI
InChI=1S/C9H12N4O2/c1-6(3-14)13-5-12-7-8(13)10-4-11-9(7)15-2/h4-6,14H,3H2,1-2H3
InChIKey
UMIYANQOXIJGRF-UHFFFAOYSA-N
Compound name
2-(6-methoxypurin-9-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.09602 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.10330 144.4
[M+Na]+ 231.08524 155.2
[M-H]- 207.08874 143.2
[M+NH4]+ 226.12984 160.4
[M+K]+ 247.05918 152.5
[M+H-H2O]+ 191.09328 136.1
[M+HCOO]- 253.09422 163.6
[M+CH3COO]- 267.10987 184.3
[M+Na-2H]- 229.07069 150.8
[M]+ 208.09547 148.4
[M]- 208.09657 148.4
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.