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]+ 224.10297 150.9
[M+Na]+ 246.08491 162.8
[M-H]- 222.08841 156.3
[M+NH4]+ 241.12951 162.7
[M+K]+ 262.05885 158.3
[M+H-H2O]+ 206.09295 144.0
[M+HCOO]- 268.09389 170.4
[M+CH3COO]- 282.10954 163.2
[M+Na-2H]- 244.07036 154.9
[M]+ 223.09514 153.8
[M]- 223.09624 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.