CID 98788

2-chloro-n-(prop-2-en-1-yl)acetamide

Structural Information

Molecular Formula
C5H8ClNO
SMILES
C=CCNC(=O)CCl
InChI
InChI=1S/C5H8ClNO/c1-2-3-7-5(8)4-6/h2H,1,3-4H2,(H,7,8)
InChIKey
AZOOMRDAGOXGNJ-UHFFFAOYSA-N
Compound name
2-chloro-N-prop-2-enylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

133.02943 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.036706 125.2
[M+Na]+ 156.018648 133.2
[M-H]- 132.022154 125.6
[M+NH4]+ 151.063253 147.7
[M+K]+ 171.992588 130.7
[M+H-H2O]+ 116.026690 121.7
[M+HCOO]- 178.027631 145.5
[M+CH3COO]- 192.043281 173.1
[M+Na-2H]- 154.004096 131.3
[M]+ 133.02888142 126.4
[M]- 133.02997858 126.4
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