CID 66535

Cytidine 3'-monophosphate

Structural Information

Molecular Formula
C9H14N3O8P
SMILES
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O
InChI
InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKey
UOOOPKANIPLQPU-XVFCMESISA-N
Compound name
[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

790
References

1456
Patents

323.05185 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.05913 167.3
[M+Na]+ 346.04107 173.0
[M+NH4]+ 341.08567 168.3
[M+K]+ 362.01501 176.9
[M-H]- 322.04457 164.6
[M+Na-2H]- 344.02652 165.9
[M]+ 323.05130 166.4
[M]- 323.05240 166.4
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