CID 468837

2',3'-secoisocytidine

Structural Information

Molecular Formula
C10H17N3O5
SMILES
CC1=CN(C(=NC1=O)N)C(CO)OC(CO)CO
InChI
InChI=1S/C10H17N3O5/c1-6-2-13(10(11)12-9(6)17)8(5-16)18-7(3-14)4-15/h2,7-8,14-16H,3-5H2,1H3,(H2,11,12,17)
InChIKey
BJTPNBQOVDMWFC-UHFFFAOYSA-N
Compound name
2-amino-1-[1-(1,3-dihydroxypropan-2-yloxy)-2-hydroxyethyl]-5-methylpyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.11682 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.12410 156.9
[M+Na]+ 282.10604 163.6
[M-H]- 258.10954 153.8
[M+NH4]+ 277.15064 168.6
[M+K]+ 298.07998 161.6
[M+H-H2O]+ 242.11408 149.4
[M+HCOO]- 304.11502 173.5
[M+CH3COO]- 318.13067 192.3
[M+Na-2H]- 280.09149 157.9
[M]+ 259.11627 157.1
[M]- 259.11737 157.1
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.