CID 15953958

C-cyclocytidine

Structural Information

Molecular Formula
C10H13N3O3
SMILES
C1[C@@H]([C@H]([C@H]2[C@@H]1N3C=CC(=N)N=C3O2)O)CO
InChI
InChI=1S/C10H13N3O3/c11-7-1-2-13-6-3-5(4-14)8(15)9(6)16-10(13)12-7/h1-2,5-6,8-9,11,14-15H,3-4H2/t5-,6-,8-,9-/m1/s1
InChIKey
LACYWZMIAPMEAZ-SQEXRHODSA-N
Compound name
(2R,4R,5R,6R)-4-(hydroxymethyl)-10-imino-7-oxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

223.09569 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10297 145.8
[M+Na]+ 246.08491 155.3
[M-H]- 222.08841 147.5
[M+NH4]+ 241.12951 164.6
[M+K]+ 262.05885 152.4
[M+H-H2O]+ 206.09295 140.3
[M+HCOO]- 268.09389 163.5
[M+CH3COO]- 282.10954 158.1
[M+Na-2H]- 244.07036 149.8
[M]+ 223.09514 145.0
[M]- 223.09624 145.0
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