CID 12155511

123523-58-0

Structural Information

Molecular Formula
C6H7NO
SMILES
C=CC(=O)NCC#C
InChI
InChI=1S/C6H7NO/c1-3-5-7-6(8)4-2/h1,4H,2,5H2,(H,7,8)
InChIKey
YGMMGFRCYBLJST-UHFFFAOYSA-N
Compound name
N-prop-2-ynylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

145
Patents

109.052765 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.06004 122.6
[M+Na]+ 132.04198 131.7
[M-H]- 108.04549 122.5
[M+NH4]+ 127.08659 142.7
[M+K]+ 148.01592 130.1
[M+H-H2O]+ 92.050025 112.1
[M+HCOO]- 154.05097 141.3
[M+CH3COO]- 168.06662 179.8
[M+Na-2H]- 130.02743 127.9
[M]+ 109.05222 116.6
[M]- 109.05331 116.6
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

No patent data available for this compound.