CID 451971

3'-ch2cn-ddc

Structural Information

Molecular Formula
C11H14N4O3
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)CC#N
InChI
InChI=1S/C11H14N4O3/c12-3-1-7-5-10(18-8(7)6-16)15-4-2-9(13)14-11(15)17/h2,4,7-8,10,16H,1,5-6H2,(H2,13,14,17)/t7-,8+,10+/m0/s1
InChIKey
BEJKJKPICIGNLI-QXFUBDJGSA-N
Compound name
2-[(2S,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.1066 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.11388 152.6
[M+Na]+ 273.09582 162.2
[M-H]- 249.09932 154.4
[M+NH4]+ 268.14042 164.7
[M+K]+ 289.06976 159.3
[M+H-H2O]+ 233.10386 137.7
[M+HCOO]- 295.10480 168.3
[M+CH3COO]- 309.12045 203.6
[M+Na-2H]- 271.08127 154.4
[M]+ 250.10605 146.3
[M]- 250.10715 146.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.