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]+ 225.134596 150.0
[M+Na]+ 247.116538 159.1
[M-H]- 223.120044 151.7
[M+NH4]+ 242.161143 165.2
[M+K]+ 263.090478 154.8
[M+H-H2O]+ 207.124580 141.7
[M+HCOO]- 269.125521 169.3
[M+CH3COO]- 283.141171 188.0
[M+Na-2H]- 245.101986 151.5
[M]+ 224.12677142 146.6
[M]- 224.12786858 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.