CID 451937

715-68-4

Structural Information

Molecular Formula
C9H13N5O
SMILES
C1=NC(=C2C(=N1)N(C=N2)CCCCO)N
InChI
InChI=1S/C9H13N5O/c10-8-7-9(12-5-11-8)14(6-13-7)3-1-2-4-15/h5-6,15H,1-4H2,(H2,10,11,12)
InChIKey
YVGRTJPOYUDDOY-UHFFFAOYSA-N
Compound name
4-(6-aminopurin-9-yl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

207.11201 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.11929 144.6
[M+Na]+ 230.10123 155.1
[M-H]- 206.10473 142.9
[M+NH4]+ 225.14583 160.3
[M+K]+ 246.07517 150.9
[M+H-H2O]+ 190.10927 136.1
[M+HCOO]- 252.11021 165.1
[M+CH3COO]- 266.12586 156.6
[M+Na-2H]- 228.08668 151.9
[M]+ 207.11146 146.3
[M]- 207.11256 146.3
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

patents stripe