CID 11777780

4'-c-cyanocytidine

Structural Information

Molecular Formula
C10H12N4O5
SMILES
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@](O2)(CO)C#N)O)O
InChI
InChI=1S/C10H12N4O5/c11-3-10(4-15)7(17)6(16)8(19-10)14-2-1-5(12)13-9(14)18/h1-2,6-8,15-17H,4H2,(H2,12,13,18)/t6-,7+,8-,10-/m1/s1
InChIKey
YNYMOGMVNKFIIC-IBCQBUCCSA-N
Compound name
(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

15
Patents

268.08078 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08806 154.8
[M+Na]+ 291.07000 165.4
[M-H]- 267.07350 155.2
[M+NH4]+ 286.11460 167.0
[M+K]+ 307.04394 162.5
[M+H-H2O]+ 251.07804 141.5
[M+HCOO]- 313.07898 168.5
[M+CH3COO]- 327.09463 202.0
[M+Na-2H]- 289.05545 157.1
[M]+ 268.08023 148.4
[M]- 268.08133 148.4
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

patents stripe