CID 64084547

N-(but-3-yn-1-yl)-2-chloroacetamide

Structural Information

Molecular Formula
C6H8ClNO
SMILES
C#CCCNC(=O)CCl
InChI
InChI=1S/C6H8ClNO/c1-2-3-4-8-6(9)5-7/h1H,3-5H2,(H,8,9)
InChIKey
ZRHSBXZSAMENDQ-UHFFFAOYSA-N
Compound name
N-but-3-ynyl-2-chloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

145.02943 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.036706 128.1
[M+Na]+ 168.018648 137.9
[M-H]- 144.022154 127.9
[M+NH4]+ 163.063253 147.8
[M+K]+ 183.992588 134.6
[M+H-H2O]+ 128.026690 118.5
[M+HCOO]- 190.027631 142.7
[M+CH3COO]- 204.043281 184.1
[M+Na-2H]- 166.004096 133.1
[M]+ 145.02888142 124.4
[M]- 145.02997858 124.4
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

patents stripe