CID 500507

Akos018033874

Structural Information

Molecular Formula
C9H13ClN4O
SMILES
C1CC1(CNC2=CC(=NC(=N2)N)Cl)CO
InChI
InChI=1S/C9H13ClN4O/c10-6-3-7(14-8(11)13-6)12-4-9(5-15)1-2-9/h3,15H,1-2,4-5H2,(H3,11,12,13,14)
InChIKey
XLJMRABAEUTNKS-UHFFFAOYSA-N
Compound name
[1-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]cyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

228.07779 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.08507 148.2
[M+Na]+ 251.06701 158.5
[M-H]- 227.07051 151.5
[M+NH4]+ 246.11161 160.5
[M+K]+ 267.04095 152.9
[M+H-H2O]+ 211.07505 142.0
[M+HCOO]- 273.07599 166.2
[M+CH3COO]- 287.09164 192.5
[M+Na-2H]- 249.05246 155.2
[M]+ 228.07724 150.5
[M]- 228.07834 150.5
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

No patent data available for this compound.