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 154.8
[M+Na]+ 272.11179 162.6
[M-H]- 248.11529 151.6
[M+NH4]+ 267.15639 167.6
[M+K]+ 288.08573 158.1
[M+H-H2O]+ 232.11983 145.7
[M+HCOO]- 294.12077 173.1
[M+CH3COO]- 308.13642 190.8
[M+Na-2H]- 270.09724 161.3
[M]+ 249.12202 155.9
[M]- 249.12312 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.