CID 453481

Cis-4-(2,6-diamino-9h-purin-9-yl)-d-prolinol

Structural Information

Molecular Formula
C10H15N7O
SMILES
C1[C@H](CN[C@H]1CO)N2C=NC3=C(N=C(N=C32)N)N
InChI
InChI=1S/C10H15N7O/c11-8-7-9(16-10(12)15-8)17(4-14-7)6-1-5(3-18)13-2-6/h4-6,13,18H,1-3H2,(H4,11,12,15,16)/t5-,6-/m1/s1
InChIKey
RFUAHFPYYMULPA-PHDIDXHHSA-N
Compound name
[(2R,4R)-4-(2,6-diaminopurin-9-yl)pyrrolidin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

249.1338 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14108 154.5
[M+Na]+ 272.12302 164.0
[M-H]- 248.12652 154.0
[M+NH4]+ 267.16762 167.6
[M+K]+ 288.09696 158.6
[M+H-H2O]+ 232.13106 145.5
[M+HCOO]- 294.13200 171.7
[M+CH3COO]- 308.14765 164.6
[M+Na-2H]- 270.10847 156.6
[M]+ 249.13325 150.3
[M]- 249.13435 150.3
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.