CID 451825

35959-37-6

Structural Information

Molecular Formula
C9H11N5O4
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CN=[N+]=[N-])O
InChI
InChI=1S/C9H11N5O4/c10-13-11-4-6-5(15)3-8(18-6)14-2-1-7(16)12-9(14)17/h1-2,5-6,8,15H,3-4H2,(H,12,16,17)/t5-,6+,8+/m0/s1
InChIKey
VAGBIQTXMSHWJX-SHYZEUOFSA-N
Compound name
1-[(2R,4S,5R)-5-(azidomethyl)-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

15
Patents

253.0811 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08838 151.2
[M+Na]+ 276.07032 158.8
[M-H]- 252.07382 156.7
[M+NH4]+ 271.11492 164.6
[M+K]+ 292.04426 151.8
[M+H-H2O]+ 236.07836 147.2
[M+HCOO]- 298.07930 176.3
[M+CH3COO]- 312.09495 189.2
[M+Na-2H]- 274.05577 159.4
[M]+ 253.08055 147.7
[M]- 253.08165 147.7
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