CID 56765705

N-(but-3-yn-1-yl)acetamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

111.06841 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 122.8
[M+Na]+ 134.05763 131.6
[M-H]- 110.06113 122.6
[M+NH4]+ 129.10223 142.9
[M+K]+ 150.03157 130.6
[M+H-H2O]+ 94.065670 112.2
[M+HCOO]- 156.06661 141.4
[M+CH3COO]- 170.08226 180.7
[M+Na-2H]- 132.04308 128.2
[M]+ 111.06786 117.4
[M]- 111.06896 117.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe