CID 15208558

N-methylprop-2-ynamide

Structural Information

Molecular Formula
C4H5NO
SMILES
CNC(=O)C#C
InChI
InChI=1S/C4H5NO/c1-3-4(6)5-2/h1H,2H3,(H,5,6)
InChIKey
WBVNBTCOCIGBDL-UHFFFAOYSA-N
Compound name
N-methylprop-2-ynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

539
Patents

83.03712 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 84.044396 114.8
[M+Na]+ 106.02634 124.4
[M-H]- 82.029844 114.9
[M+NH4]+ 101.07094 135.9
[M+K]+ 122.00028 123.8
[M+H-H2O]+ 66.034380 104.6
[M+HCOO]- 128.03532 134.0
[M+CH3COO]- 142.05097 175.2
[M+Na-2H]- 104.01179 121.1
[M]+ 83.036571 108.7
[M]- 83.037669 108.7
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