CID 86080

16874-68-3

Structural Information

Molecular Formula
C7H12N4O3
SMILES
C(CC1C(=O)OC(=O)N1)CN=C(N)N
InChI
InChI=1S/C7H12N4O3/c8-6(9)10-3-1-2-4-5(12)14-7(13)11-4/h4H,1-3H2,(H,11,13)(H4,8,9,10)
InChIKey
JDPWDIITDFLPBX-UHFFFAOYSA-N
Compound name
2-[3-(2,5-dioxo-1,3-oxazolidin-4-yl)propyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.09094 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.098216 142.9
[M+Na]+ 223.080158 148.6
[M-H]- 199.083664 144.8
[M+NH4]+ 218.124763 159.6
[M+K]+ 239.054098 147.9
[M+H-H2O]+ 183.088200 135.6
[M+HCOO]- 245.089141 165.6
[M+CH3COO]- 259.104791 189.1
[M+Na-2H]- 221.065606 145.2
[M]+ 200.09039142 138.8
[M]- 200.09148858 138.8
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

No patent data available for this compound.