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

94
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 122.1
[M+Na]+ 134.05763 131.2
[M-H]- 110.06113 123.3
[M+NH4]+ 129.10223 142.9
[M+K]+ 150.03157 131.3
[M+H-H2O]+ 94.065670 111.4
[M+HCOO]- 156.06661 141.2
[M+CH3COO]- 170.08226 183.9
[M+Na-2H]- 132.04308 126.9
[M]+ 111.06786 117.9
[M]- 111.06896 117.9
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