CID 385299

Nsc676411

Structural Information

Molecular Formula
C11H16N2O3
SMILES
CC1=CN(C(=O)NC1=O)CC2(CCC2)CO
InChI
InChI=1S/C11H16N2O3/c1-8-5-13(10(16)12-9(8)15)6-11(7-14)3-2-4-11/h5,14H,2-4,6-7H2,1H3,(H,12,15,16)
InChIKey
OKXDWGWJBWQINO-UHFFFAOYSA-N
Compound name
1-[[1-(hydroxymethyl)cyclobutyl]methyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.11609 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.12337 149.2
[M+Na]+ 247.10531 157.1
[M-H]- 223.10881 151.0
[M+NH4]+ 242.14991 159.3
[M+K]+ 263.07925 156.4
[M+H-H2O]+ 207.11335 137.6
[M+HCOO]- 269.11429 166.6
[M+CH3COO]- 283.12994 186.8
[M+Na-2H]- 245.09076 153.7
[M]+ 224.11554 157.2
[M]- 224.11664 157.2
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.