CID 101445

Propiolamide

Structural Information

Molecular Formula
C3H3NO
SMILES
C#CC(=O)N
InChI
InChI=1S/C3H3NO/c1-2-3(4)5/h1H,(H2,4,5)
InChIKey
HCJTYESURSHXNB-UHFFFAOYSA-N
Compound name
prop-2-ynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

2908
Patents

69.02146 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 70.028736 111.3
[M+Na]+ 92.010678 121.2
[M-H]- 68.014184 111.1
[M+NH4]+ 87.055283 132.6
[M+K]+ 107.98462 120.6
[M+H-H2O]+ 52.018720 101.3
[M+HCOO]- 114.01966 130.2
[M+CH3COO]- 128.03531 172.4
[M+Na-2H]- 89.996126 117.1
[M]+ 69.020911 104.1
[M]- 69.022009 104.1
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