CID 85991368

N-(hex-5-yn-1-yl)prop-2-enamide

Structural Information

Molecular Formula
C9H13NO
SMILES
C=CC(=O)NCCCCC#C
InChI
InChI=1S/C9H13NO/c1-3-5-6-7-8-10-9(11)4-2/h1,4H,2,5-8H2,(H,10,11)
InChIKey
XQTKGLXEXUOUKE-UHFFFAOYSA-N
Compound name
N-hex-5-ynylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.09972 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 134.5
[M+Na]+ 174.08894 142.5
[M-H]- 150.09244 133.9
[M+NH4]+ 169.13354 153.1
[M+K]+ 190.06288 140.1
[M+H-H2O]+ 134.09698 123.5
[M+HCOO]- 196.09792 152.4
[M+CH3COO]- 210.11357 188.0
[M+Na-2H]- 172.07439 138.4
[M]+ 151.09917 129.5
[M]- 151.10027 129.5
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.