CID 135538726

9-(methoxy-(4-hydroxybuten-3-yl)-guanine

Structural Information

Molecular Formula
C10H13N5O3
SMILES
C=CC(CO)OCN1C=NC2=C1N=C(NC2=O)N
InChI
InChI=1S/C10H13N5O3/c1-2-6(3-16)18-5-15-4-12-7-8(15)13-10(11)14-9(7)17/h2,4,6,16H,1,3,5H2,(H3,11,13,14,17)
InChIKey
NCIXHMZGVXQYTQ-UHFFFAOYSA-N
Compound name
2-amino-9-(1-hydroxybut-3-en-2-yloxymethyl)-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.10184 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10912 154.6
[M+Na]+ 274.09106 164.9
[M-H]- 250.09456 152.0
[M+NH4]+ 269.13566 167.6
[M+K]+ 290.06500 160.1
[M+H-H2O]+ 234.09910 146.4
[M+HCOO]- 296.10004 172.9
[M+CH3COO]- 310.11569 191.4
[M+Na-2H]- 272.07651 159.0
[M]+ 251.10129 155.9
[M]- 251.10239 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.