CID 76877854

[1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanol

Structural Information

Molecular Formula
C9H13ClN4O
SMILES
C1CC(N(C1)C2=CC(=NC(=N2)N)Cl)CO
InChI
InChI=1S/C9H13ClN4O/c10-7-4-8(13-9(11)12-7)14-3-1-2-6(14)5-15/h4,6,15H,1-3,5H2,(H2,11,12,13)
InChIKey
JZKRFJBGTJVVAE-UHFFFAOYSA-N
Compound name
[1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.07779 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.08507 148.0
[M+Na]+ 251.06701 159.7
[M+NH4]+ 246.11161 155.2
[M+K]+ 267.04095 155.9
[M-H]- 227.07051 149.6
[M+Na-2H]- 249.05246 153.5
[M]+ 228.07724 150.1
[M]- 228.07834 150.1
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.

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No patent data available for this compound.