CID 24776158

2-chloro-n-(hex-5-yn-1-yl)acetamide

Structural Information

Molecular Formula
C8H12ClNO
SMILES
C#CCCCCNC(=O)CCl
InChI
InChI=1S/C8H12ClNO/c1-2-3-4-5-6-10-8(11)7-9/h1H,3-7H2,(H,10,11)
InChIKey
YQDXXLTYDIDZDT-UHFFFAOYSA-N
Compound name
2-chloro-N-hex-5-ynylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

173.06075 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.06803 134.7
[M+Na]+ 196.04997 144.7
[M+NH4]+ 191.09457 138.9
[M+K]+ 212.02391 135.7
[M-H]- 172.05347 126.7
[M+Na-2H]- 194.03542 135.8
[M]+ 173.06020 133.1
[M]- 173.06130 133.1
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