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 149.8
[M+Na]+ 251.06701 158.5
[M-H]- 227.07051 150.8
[M+NH4]+ 246.11161 165.4
[M+K]+ 267.04095 153.5
[M+H-H2O]+ 211.07505 141.6
[M+HCOO]- 273.07599 164.1
[M+CH3COO]- 287.09164 160.9
[M+Na-2H]- 249.05246 152.0
[M]+ 228.07724 147.4
[M]- 228.07834 147.4
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.