CID 5748924

Brn 5533740

Structural Information

Molecular Formula
C8H9ClN4O
SMILES
C1=CNC2=C1N=C(N=C2NCCO)Cl
InChI
InChI=1S/C8H9ClN4O/c9-8-12-5-1-2-10-6(5)7(13-8)11-3-4-14/h1-2,10,14H,3-4H2,(H,11,12,13)
InChIKey
RBGAAYQJCJRSFB-UHFFFAOYSA-N
Compound name
2-[(2-chloro-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.0465 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.05378 141.1
[M+Na]+ 235.03572 152.2
[M-H]- 211.03922 139.7
[M+NH4]+ 230.08032 158.3
[M+K]+ 251.00966 146.3
[M+H-H2O]+ 195.04376 134.1
[M+HCOO]- 257.04470 157.7
[M+CH3COO]- 271.06035 153.4
[M+Na-2H]- 233.02117 149.0
[M]+ 212.04595 142.8
[M]- 212.04705 142.8
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.