CID 49866408

3,5-dihydro-5-methylidene-4h-imidazol-4-on

Structural Information

Molecular Formula
C8H16N4O3
SMILES
C[C@@H]([C@H]1N[C@H](C(=O)N1CC(=O)O)CN)N
InChI
InChI=1S/C8H16N4O3/c1-4(10)7-11-5(2-9)8(15)12(7)3-6(13)14/h4-5,7,11H,2-3,9-10H2,1H3,(H,13,14)/t4-,5-,7-/m0/s1
InChIKey
MOTCYKZNVUEYFO-VPLCAKHXSA-N
Compound name
2-[(2S,4S)-2-[(1S)-1-aminoethyl]-4-(aminomethyl)-5-oxoimidazolidin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.12224 Da
Monoisotopic Mass

-4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.129516 149.4
[M+Na]+ 239.111458 155.0
[M-H]- 215.114964 146.9
[M+NH4]+ 234.156063 164.6
[M+K]+ 255.085398 152.8
[M+H-H2O]+ 199.119500 142.5
[M+HCOO]- 261.120441 166.2
[M+CH3COO]- 275.136091 188.7
[M+Na-2H]- 237.096906 147.1
[M]+ 216.12169142 143.2
[M]- 216.12278858 143.2
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.