CID 135415634

2-amino-9-[5-hydroxy-4-(hydroxymethyl)pentyl]-1h-purin-6-one

Structural Information

Molecular Formula
C11H17N5O3
SMILES
C1=NC2=C(N1CCCC(CO)CO)N=C(NC2=O)N
InChI
InChI=1S/C11H17N5O3/c12-11-14-9-8(10(19)15-11)13-6-16(9)3-1-2-7(4-17)5-18/h6-7,17-18H,1-5H2,(H3,12,14,15,19)
InChIKey
RIYDAIXKNFUKSN-UHFFFAOYSA-N
Compound name
2-amino-9-[5-hydroxy-4-(hydroxymethyl)pentyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

267.13315 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.14043 160.1
[M+Na]+ 290.12237 169.2
[M-H]- 266.12587 156.0
[M+NH4]+ 285.16697 171.8
[M+K]+ 306.09631 164.1
[M+H-H2O]+ 250.13041 151.9
[M+HCOO]- 312.13135 176.4
[M+CH3COO]- 326.14700 192.9
[M+Na-2H]- 288.10782 163.6
[M]+ 267.13260 160.6
[M]- 267.13370 160.6
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

patents stripe