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]+ 138.09134 132.1
[M+Na]+ 160.07328 140.4
[M-H]- 136.07678 131.8
[M+NH4]+ 155.11788 151.3
[M+K]+ 176.04722 138.6
[M+H-H2O]+ 120.08132 121.3
[M+HCOO]- 182.08226 149.4
[M+CH3COO]- 196.09791 185.4
[M+Na-2H]- 158.05873 135.2
[M]+ 137.08351 126.1
[M]- 137.08461 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