CID 11694469

5-decynyl-uracil

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CCCCCCCCC#CC1=CNC(=O)NC1=O
InChI
InChI=1S/C14H20N2O2/c1-2-3-4-5-6-7-8-9-10-12-11-15-14(18)16-13(12)17/h11H,2-8H2,1H3,(H2,15,16,17,18)
InChIKey
MXHXTAWQXHJEGR-UHFFFAOYSA-N
Compound name
5-dec-1-ynyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

248.15248 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 156.5
[M+Na]+ 271.14170 165.3
[M-H]- 247.14520 152.8
[M+NH4]+ 266.18630 168.3
[M+K]+ 287.11564 159.2
[M+H-H2O]+ 231.14974 142.8
[M+HCOO]- 293.15068 169.1
[M+CH3COO]- 307.16633 195.8
[M+Na-2H]- 269.12715 158.7
[M]+ 248.15193 151.1
[M]- 248.15303 151.1
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

No patent data available for this compound.