CID 29033

18341-31-6

Structural Information

Molecular Formula
C6H9NO
SMILES
CC(=O)N(C)CC#C
InChI
InChI=1S/C6H9NO/c1-4-5-7(3)6(2)8/h1H,5H2,2-3H3
InChIKey
VYAMKMQYVSEZSB-UHFFFAOYSA-N
Compound name
N-methyl-N-prop-2-ynylacetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

67
Patents

111.06841 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 123.3
[M+Na]+ 134.05763 133.2
[M+NH4]+ 129.10223 127.8
[M+K]+ 150.03157 125.6
[M-H]- 110.06113 115.7
[M+Na-2H]- 132.04308 124.9
[M]+ 111.06786 121.5
[M]- 111.06896 121.5
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