CID 135474245

(1,6-hexane diol-3-yl)g

Structural Information

Molecular Formula
C11H17N5O3
SMILES
C1=NC2=C(N1C(CCCO)CCO)N=C(NC2=O)N
InChI
InChI=1S/C11H17N5O3/c12-11-14-9-8(10(19)15-11)13-6-16(9)7(3-5-18)2-1-4-17/h6-7,17-18H,1-5H2,(H3,12,14,15,19)
InChIKey
RDCKWBKGNSPMDR-UHFFFAOYSA-N
Compound name
2-amino-9-(1,6-dihydroxyhexan-3-yl)-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.13315 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.14043 160.1
[M+Na]+ 290.12237 169.2
[M-H]- 266.12587 156.0
[M+NH4]+ 285.16697 171.8
[M+K]+ 306.09631 164.1
[M+H-H2O]+ 250.13041 151.9
[M+HCOO]- 312.13135 176.4
[M+CH3COO]- 326.14700 192.9
[M+Na-2H]- 288.10782 163.6
[M]+ 267.13260 160.6
[M]- 267.13370 160.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.