CID 12155511

N-(prop-2-yn-1-yl)acrylamide

Structural Information

Molecular Formula
C6H7NO
SMILES
C=CC(=O)NCC#C
InChI
InChI=1S/C6H7NO/c1-3-5-7-6(8)4-2/h1,4H,2,5H2,(H,7,8)
InChIKey
YGMMGFRCYBLJST-UHFFFAOYSA-N
Compound name
N-prop-2-ynylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

101
Patents

109.052765 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.06004 123.9
[M+Na]+ 132.04198 133.6
[M+NH4]+ 127.08659 127.9
[M+K]+ 148.01592 125.5
[M-H]- 108.04549 115.7
[M+Na-2H]- 130.02743 125.1
[M]+ 109.05222 121.9
[M]- 109.05331 121.9
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