CID 1085196

626217-76-3

Structural Information

Molecular Formula
C8H11ClN4
SMILES
C1CCN(C1)C2=C(C(=NC=N2)Cl)N
InChI
InChI=1S/C8H11ClN4/c9-7-6(10)8(12-5-11-7)13-3-1-2-4-13/h5H,1-4,10H2
InChIKey
HGBSHFZMWYKLPY-UHFFFAOYSA-N
Compound name
4-chloro-6-pyrrolidin-1-ylpyrimidin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

198.06723 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.07451 141.9
[M+Na]+ 221.05645 150.7
[M-H]- 197.05995 143.9
[M+NH4]+ 216.10105 159.1
[M+K]+ 237.03039 146.2
[M+H-H2O]+ 181.06449 133.3
[M+HCOO]- 243.06543 157.8
[M+CH3COO]- 257.08108 153.9
[M+Na-2H]- 219.04190 145.8
[M]+ 198.06668 139.2
[M]- 198.06778 139.2
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.