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]+ 250.12985 155.3
[M+Na]+ 272.11179 165.4
[M+NH4]+ 267.15639 159.9
[M+K]+ 288.08573 162.6
[M-H]- 248.11529 153.3
[M+Na-2H]- 270.09724 159.0
[M]+ 249.12202 155.6
[M]- 249.12312 155.6
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

No patent data available for this compound.