CID 334340

86625-99-2

Structural Information

Molecular Formula
C9H12N4O2
SMILES
C1=CN(C2=NC=NC(=C21)N)COCCO
InChI
InChI=1S/C9H12N4O2/c10-8-7-1-2-13(6-15-4-3-14)9(7)12-5-11-8/h1-2,5,14H,3-4,6H2,(H2,10,11,12)
InChIKey
MRFDOXAECUKAFK-UHFFFAOYSA-N
Compound name
2-[(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1
Patents

208.09602 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.10330 142.4
[M+Na]+ 231.08524 152.7
[M-H]- 207.08874 142.0
[M+NH4]+ 226.12984 159.3
[M+K]+ 247.05918 149.2
[M+H-H2O]+ 191.09328 134.5
[M+HCOO]- 253.09422 164.5
[M+CH3COO]- 267.10987 184.8
[M+Na-2H]- 229.07069 149.8
[M]+ 208.09547 144.9
[M]- 208.09657 144.9
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.