CID 45787581

871823-79-9

Structural Information

Molecular Formula
C9H13N3
SMILES
C1CCC(C1)C2=NC=CC(=N2)N
InChI
InChI=1S/C9H13N3/c10-8-5-6-11-9(12-8)7-3-1-2-4-7/h5-7H,1-4H2,(H2,10,11,12)
InChIKey
AJHXQZJGACQEDX-UHFFFAOYSA-N
Compound name
2-cyclopentylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

163.11095 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.118226 134.4
[M+Na]+ 186.100168 141.2
[M-H]- 162.103674 137.7
[M+NH4]+ 181.144773 153.4
[M+K]+ 202.074108 138.4
[M+H-H2O]+ 146.108210 126.2
[M+HCOO]- 208.109151 156.2
[M+CH3COO]- 222.124801 147.0
[M+Na-2H]- 184.085616 139.3
[M]+ 163.11040142 129.3
[M]- 163.11149858 129.3
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

patents stripe