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

literature stripe

Patent stripe

patents stripe