CID 240796

N-(prop-2-yn-1-yl)acetamide

Structural Information

Molecular Formula
C5H7NO
SMILES
CC(=O)NCC#C
InChI
InChI=1S/C5H7NO/c1-3-4-6-5(2)7/h1H,4H2,2H3,(H,6,7)
InChIKey
GGOQYHOZFCWTNM-UHFFFAOYSA-N
Compound name
N-prop-2-ynylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

321
Patents

97.052765 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.060041 119.9
[M+Na]+ 120.04198 129.8
[M+NH4]+ 115.08659 124.3
[M+K]+ 136.01592 121.9
[M-H]- 96.045489 112.0
[M+Na-2H]- 118.02743 121.5
[M]+ 97.052216 118.0
[M]- 97.053314 118.0
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