CID 19565

Primocarcin

Structural Information

Molecular Formula
C8H12N2O3
SMILES
CC(=O)NC(=C)C(=O)CCC(=O)N
InChI
InChI=1S/C8H12N2O3/c1-5(10-6(2)11)7(12)3-4-8(9)13/h1,3-4H2,2H3,(H2,9,13)(H,10,11)
InChIKey
DVMKENULKFKEFR-UHFFFAOYSA-N
Compound name
5-acetamido-4-oxohex-5-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

184.0848 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.09208 142.2
[M+Na]+ 207.07402 147.8
[M+NH4]+ 202.11862 146.6
[M+K]+ 223.04796 145.9
[M-H]- 183.07752 139.4
[M+Na-2H]- 205.05947 142.2
[M]+ 184.08425 141.4
[M]- 184.08535 141.4
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