CID 10773038

3-methyl-n-(prop-2-yn-1-yl)but-2-enamide

Structural Information

Molecular Formula
C8H11NO
SMILES
CC(=CC(=O)NCC#C)C
InChI
InChI=1S/C8H11NO/c1-4-5-9-8(10)6-7(2)3/h1,6H,5H2,2-3H3,(H,9,10)
InChIKey
PRLDDXLDHZZKFN-UHFFFAOYSA-N
Compound name
3-methyl-N-prop-2-ynylbut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

137.08406 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 132.1
[M+Na]+ 160.07328 141.1
[M+NH4]+ 155.11788 135.7
[M+K]+ 176.04722 133.3
[M-H]- 136.07678 123.6
[M+Na-2H]- 158.05873 132.4
[M]+ 137.08351 129.8
[M]- 137.08461 129.8
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