CID 36017

6-(9h-purin-6-ylamino)hexanoic acid

Structural Information

Molecular Formula
C11H15N5O2
SMILES
C1=NC2=C(N1)C(=NC=N2)NCCCCCC(=O)O
InChI
InChI=1S/C11H15N5O2/c17-8(18)4-2-1-3-5-12-10-9-11(14-6-13-9)16-7-15-10/h6-7H,1-5H2,(H,17,18)(H2,12,13,14,15,16)
InChIKey
OAMAZZRKJZQBMP-UHFFFAOYSA-N
Compound name
6-(7H-purin-6-ylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

249.12257 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.129846 154.8
[M+Na]+ 272.111788 162.6
[M-H]- 248.115294 151.6
[M+NH4]+ 267.156393 167.6
[M+K]+ 288.085728 158.1
[M+H-H2O]+ 232.119830 145.7
[M+HCOO]- 294.120771 173.1
[M+CH3COO]- 308.136421 190.8
[M+Na-2H]- 270.097236 161.3
[M]+ 249.12202142 155.9
[M]- 249.12311858 155.9
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.