CID 168964

2956-58-3

Structural Information

Molecular Formula
C8H12N2O2
SMILES
C=CC(=O)NCCNC(=O)C=C
InChI
InChI=1S/C8H12N2O2/c1-3-7(11)9-5-6-10-8(12)4-2/h3-4H,1-2,5-6H2,(H,9,11)(H,10,12)
InChIKey
AYGYHGXUJBFUJU-UHFFFAOYSA-N
Compound name
N-[2-(prop-2-enoylamino)ethyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

9381
Patents

168.08987 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09715 139.1
[M+Na]+ 191.07909 146.2
[M+NH4]+ 186.12369 144.6
[M+K]+ 207.05303 141.9
[M-H]- 167.08259 137.6
[M+Na-2H]- 189.06454 140.8
[M]+ 168.08932 139.0
[M]- 168.09042 139.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe