CID 9855445

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

Structural Information

Molecular Formula
C4H5NO
SMILES
C#CCNC=O
InChI
InChI=1S/C4H5NO/c1-2-3-5-4-6/h1,4H,3H2,(H,5,6)
InChIKey
MTEWKKSTWKALQI-UHFFFAOYSA-N
Compound name
N-prop-2-ynylformamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

227
Patents

83.03712 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 84.044396 113.0
[M+Na]+ 106.02634 122.8
[M-H]- 82.029844 113.1
[M+NH4]+ 101.07094 134.1
[M+K]+ 122.00028 121.8
[M+H-H2O]+ 66.034380 102.8
[M+HCOO]- 128.03532 133.1
[M+CH3COO]- 142.05097 175.1
[M+Na-2H]- 104.01179 120.6
[M]+ 83.036571 107.7
[M]- 83.037669 107.7
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