CID 384517

Nsc674468

Structural Information

Molecular Formula
C11H15N3O4
SMILES
CC1=CN(C(=O)NC1=O)C2CCN(C2)OC(=O)C
InChI
InChI=1S/C11H15N3O4/c1-7-5-14(11(17)12-10(7)16)9-3-4-13(6-9)18-8(2)15/h5,9H,3-4,6H2,1-2H3,(H,12,16,17)
InChIKey
CIHUZBCTHYNVCW-UHFFFAOYSA-N
Compound name
[3-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-1-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.10626 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11354 154.0
[M+Na]+ 276.09548 163.3
[M-H]- 252.09898 156.2
[M+NH4]+ 271.14008 168.3
[M+K]+ 292.06942 160.3
[M+H-H2O]+ 236.10352 145.9
[M+HCOO]- 298.10446 172.1
[M+CH3COO]- 312.12011 190.4
[M+Na-2H]- 274.08093 154.6
[M]+ 253.10571 154.1
[M]- 253.10681 154.1
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.