CID 11815293

Pent-4-enamide

Structural Information

Molecular Formula
C5H9NO
SMILES
C=CCCC(=O)N
InChI
InChI=1S/C5H9NO/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H2,6,7)
InChIKey
DVFGVGYKHMQZJC-UHFFFAOYSA-N
Compound name
pent-4-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

897
Patents

99.06841 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.07569 119.8
[M+Na]+ 122.05763 129.2
[M+NH4]+ 117.10223 127.4
[M+K]+ 138.03157 124.3
[M-H]- 98.061134 119.3
[M+Na-2H]- 120.04308 123.3
[M]+ 99.067861 120.6
[M]- 99.068959 120.6
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