CID 145867667

2375250-96-5

Structural Information

Molecular Formula
C10H16N4O2
SMILES
CCN1C(=O)C=C(NC1=O)N2CC[C@H](C2)N
InChI
InChI=1S/C10H16N4O2/c1-2-14-9(15)5-8(12-10(14)16)13-4-3-7(11)6-13/h5,7H,2-4,6,11H2,1H3,(H,12,16)/t7-/m1/s1
InChIKey
HEGVQYQZFFVTTC-SSDOTTSWSA-N
Compound name
6-[(3R)-3-aminopyrrolidin-1-yl]-3-ethyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.12732 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.13460 150.0
[M+Na]+ 247.11654 159.1
[M-H]- 223.12004 151.7
[M+NH4]+ 242.16114 165.2
[M+K]+ 263.09048 154.8
[M+H-H2O]+ 207.12458 141.7
[M+HCOO]- 269.12552 169.3
[M+CH3COO]- 283.14117 188.0
[M+Na-2H]- 245.10199 151.5
[M]+ 224.12677 146.6
[M]- 224.12787 146.6
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.