CID 122847

2',3'-dideoxy-2',3'-methanocytidine

Structural Information

Molecular Formula
C10H13N3O3
SMILES
C1[C@H]2[C@@H]1C(OC2CO)N3C=CC(=NC3=O)N
InChI
InChI=1S/C10H13N3O3/c11-8-1-2-13(10(15)12-8)9-6-3-5(6)7(4-14)16-9/h1-2,5-7,9,14H,3-4H2,(H2,11,12,15)/t5-,6+,7?,9?/m0/s1
InChIKey
RRGOIFKSCWKADS-YRQATFFOSA-N
Compound name
4-amino-1-[(1R,5S)-4-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

223.09569 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.102966 150.9
[M+Na]+ 246.084908 162.8
[M-H]- 222.088414 156.3
[M+NH4]+ 241.129513 162.7
[M+K]+ 262.058848 158.3
[M+H-H2O]+ 206.092950 144.0
[M+HCOO]- 268.093891 170.4
[M+CH3COO]- 282.109541 163.2
[M+Na-2H]- 244.070356 154.9
[M]+ 223.09514142 153.8
[M]- 223.09623858 153.8
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.