CID 6438040

Homeostan

Structural Information

Molecular Formula
C9H14N2O3
SMILES
CC/C(=C/C)/C(=O)NC(=O)NC(=O)C
InChI
InChI=1S/C9H14N2O3/c1-4-7(5-2)8(13)11-9(14)10-6(3)12/h4H,5H2,1-3H3,(H2,10,11,12,13,14)/b7-4-
InChIKey
GIVGVNLRHLKCMH-DAXSKMNVSA-N
Compound name
(Z)-N-(acetylcarbamoyl)-2-ethylbut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

198.10045 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.107726 146.4
[M+Na]+ 221.089668 151.2
[M-H]- 197.093174 146.6
[M+NH4]+ 216.134273 164.9
[M+K]+ 237.063608 151.1
[M+H-H2O]+ 181.097710 140.6
[M+HCOO]- 243.098651 168.8
[M+CH3COO]- 257.114301 188.6
[M+Na-2H]- 219.075116 147.2
[M]+ 198.09990142 145.6
[M]- 198.10099858 145.6
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

patents stripe