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]+ 205.11963 143.0
[M+Na]+ 227.10157 152.7
[M-H]- 203.10507 143.3
[M+NH4]+ 222.14617 158.7
[M+K]+ 243.07551 148.1
[M+H-H2O]+ 187.10961 133.4
[M+HCOO]- 249.11055 161.4
[M+CH3COO]- 263.12620 154.5
[M+Na-2H]- 225.08702 147.4
[M]+ 204.11180 139.5
[M]- 204.11290 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