CID 12486289

711-64-8

Structural Information

Molecular Formula
C8H11N5O
SMILES
C1=NC(=C2C(=N1)N(C=N2)CCCO)N
InChI
InChI=1S/C8H11N5O/c9-7-6-8(11-4-10-7)13(5-12-6)2-1-3-14/h4-5,14H,1-3H2,(H2,9,10,11)
InChIKey
BLZBVHFRNUTFCH-UHFFFAOYSA-N
Compound name
3-(6-aminopurin-9-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

71
Patents

193.09636 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.103636 140.2
[M+Na]+ 216.085578 151.1
[M-H]- 192.089084 138.6
[M+NH4]+ 211.130183 156.4
[M+K]+ 232.059518 147.1
[M+H-H2O]+ 176.093620 131.9
[M+HCOO]- 238.094561 161.1
[M+CH3COO]- 252.110211 152.6
[M+Na-2H]- 214.071026 148.0
[M]+ 193.09581142 141.5
[M]- 193.09690858 141.5
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