CID 135434795

Piaiqofcdiinss-zetcqymhsa-n

Structural Information

Molecular Formula
C10H14N4O3
SMILES
CC[C@@H](CO)OCN1C=NC2=C1N=CNC2=O
InChI
InChI=1S/C10H14N4O3/c1-2-7(3-15)17-6-14-5-13-8-9(14)11-4-12-10(8)16/h4-5,7,15H,2-3,6H2,1H3,(H,11,12,16)/t7-/m0/s1
InChIKey
PIAIQOFCDIINSS-ZETCQYMHSA-N
Compound name
9-[[(2S)-1-hydroxybutan-2-yl]oxymethyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

238.1066 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.11388 151.4
[M+Na]+ 261.09582 161.4
[M-H]- 237.09932 148.7
[M+NH4]+ 256.14042 165.4
[M+K]+ 277.06976 157.6
[M+H-H2O]+ 221.10386 143.1
[M+HCOO]- 283.10480 169.1
[M+CH3COO]- 297.12045 186.2
[M+Na-2H]- 259.08127 156.9
[M]+ 238.10605 154.7
[M]- 238.10715 154.7
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

No patent data available for this compound.