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

11
Patents

198.10045 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.10773 146.4
[M+Na]+ 221.08967 151.2
[M-H]- 197.09317 146.6
[M+NH4]+ 216.13427 164.9
[M+K]+ 237.06361 151.1
[M+H-H2O]+ 181.09771 140.6
[M+HCOO]- 243.09865 168.8
[M+CH3COO]- 257.11430 188.6
[M+Na-2H]- 219.07512 147.2
[M]+ 198.09990 145.6
[M]- 198.10100 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