CID 118559

33851-99-9

Structural Information

Molecular Formula
C8H12N4
SMILES
C1CCN(C1)C2=NC=CC(=N2)N
InChI
InChI=1S/C8H12N4/c9-7-3-4-10-8(11-7)12-5-1-2-6-12/h3-4H,1-2,5-6H2,(H2,9,10,11)
InChIKey
SUJUREVSGVCELS-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

164.1062 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.113476 134.4
[M+Na]+ 187.095418 141.7
[M-H]- 163.098924 136.5
[M+NH4]+ 182.140023 152.0
[M+K]+ 203.069358 139.0
[M+H-H2O]+ 147.103460 125.4
[M+HCOO]- 209.104401 155.2
[M+CH3COO]- 223.120051 146.7
[M+Na-2H]- 185.080866 139.8
[M]+ 164.10565142 129.6
[M]- 164.10674858 129.6
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