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]+ 199.074506 141.9
[M+Na]+ 221.056448 150.7
[M-H]- 197.059954 143.9
[M+NH4]+ 216.101053 159.1
[M+K]+ 237.030388 146.2
[M+H-H2O]+ 181.064490 133.3
[M+HCOO]- 243.065431 157.8
[M+CH3COO]- 257.081081 153.9
[M+Na-2H]- 219.041896 145.8
[M]+ 198.06668142 139.2
[M]- 198.06777858 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.