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]+ 217.12952 149.4
[M+Na]+ 239.11146 155.0
[M-H]- 215.11496 146.9
[M+NH4]+ 234.15606 164.6
[M+K]+ 255.08540 152.8
[M+H-H2O]+ 199.11950 142.5
[M+HCOO]- 261.12044 166.2
[M+CH3COO]- 275.13609 188.7
[M+Na-2H]- 237.09691 147.1
[M]+ 216.12169 143.2
[M]- 216.12279 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.