CID 3055395

72361-29-6

Structural Information

Molecular Formula
C9H13N3O2
SMILES
CCN1C(=CC(=O)N(C1=O)CC=C)N
InChI
InChI=1S/C9H13N3O2/c1-3-5-12-8(13)6-7(10)11(4-2)9(12)14/h3,6H,1,4-5,10H2,2H3
InChIKey
VQHXZPNWCYIWNV-UHFFFAOYSA-N
Compound name
6-amino-1-ethyl-3-prop-2-enylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

195.10077 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.108046 140.3
[M+Na]+ 218.089988 151.5
[M-H]- 194.093494 141.9
[M+NH4]+ 213.134593 157.5
[M+K]+ 234.063928 148.0
[M+H-H2O]+ 178.098030 133.3
[M+HCOO]- 240.098971 163.6
[M+CH3COO]- 254.114621 187.3
[M+Na-2H]- 216.075436 144.9
[M]+ 195.10022142 141.8
[M]- 195.10131858 141.8
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

patents stripe