CID 244527

6623-88-7

Structural Information

Molecular Formula
C6H9ClN4O
SMILES
C1=NC(=C(C(=N1)Cl)N)NCCO
InChI
InChI=1S/C6H9ClN4O/c7-5-4(8)6(9-1-2-12)11-3-10-5/h3,12H,1-2,8H2,(H,9,10,11)
InChIKey
JIDCYBTZDUDFQR-UHFFFAOYSA-N
Compound name
2-[(5-amino-6-chloropyrimidin-4-yl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

7
Patents

188.0465 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.05378 137.0
[M+Na]+ 211.03572 146.1
[M-H]- 187.03922 136.5
[M+NH4]+ 206.08032 153.7
[M+K]+ 227.00966 141.8
[M+H-H2O]+ 171.04376 130.5
[M+HCOO]- 233.04470 155.4
[M+CH3COO]- 247.06035 182.5
[M+Na-2H]- 209.02117 144.0
[M]+ 188.04595 136.5
[M]- 188.04705 136.5
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