CID 549168

N,n-dimethylbut-2-ynamide

Structural Information

Molecular Formula
C6H9NO
SMILES
CC#CC(=O)N(C)C
InChI
InChI=1S/C6H9NO/c1-4-5-6(8)7(2)3/h1-3H3
InChIKey
CZOSMOPWKSUBRY-UHFFFAOYSA-N
Compound name
N,N-dimethylbut-2-ynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

111.06841 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.075686 122.4
[M+Na]+ 134.057628 131.5
[M-H]- 110.061134 123.7
[M+NH4]+ 129.102233 143.3
[M+K]+ 150.031568 131.7
[M+H-H2O]+ 94.065670 111.7
[M+HCOO]- 156.066611 141.5
[M+CH3COO]- 170.082261 183.3
[M+Na-2H]- 132.043076 127.2
[M]+ 111.06786142 118.1
[M]- 111.06895858 118.1
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