CID 19042779

6-(pyrrolidin-1-yl)-9h-purin-2-amine

Structural Information

Molecular Formula
C9H12N6
SMILES
C1CCN(C1)C2=NC(=NC3=C2NC=N3)N
InChI
InChI=1S/C9H12N6/c10-9-13-7-6(11-5-12-7)8(14-9)15-3-1-2-4-15/h5H,1-4H2,(H3,10,11,12,13,14)
InChIKey
BPUVBNMGJPXGHT-UHFFFAOYSA-N
Compound name
6-pyrrolidin-1-yl-7H-purin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

204.11235 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.119626 143.0
[M+Na]+ 227.101568 152.7
[M-H]- 203.105074 143.3
[M+NH4]+ 222.146173 158.7
[M+K]+ 243.075508 148.1
[M+H-H2O]+ 187.109610 133.4
[M+HCOO]- 249.110551 161.4
[M+CH3COO]- 263.126201 154.5
[M+Na-2H]- 225.087016 147.4
[M]+ 204.11180142 139.5
[M]- 204.11289858 139.5
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