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

3
Patents

137.08406 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.091336 132.1
[M+Na]+ 160.073278 140.4
[M-H]- 136.076784 131.8
[M+NH4]+ 155.117883 151.3
[M+K]+ 176.047218 138.6
[M+H-H2O]+ 120.081320 121.3
[M+HCOO]- 182.082261 149.4
[M+CH3COO]- 196.097911 185.4
[M+Na-2H]- 158.058726 135.2
[M]+ 137.08351142 126.1
[M]- 137.08460858 126.1
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