CID 735780

2-chloro-n-cyclopropylacetamide

Structural Information

Molecular Formula
C5H8ClNO
SMILES
C1CC1NC(=O)CCl
InChI
InChI=1S/C5H8ClNO/c6-3-5(8)7-4-1-2-4/h4H,1-3H2,(H,7,8)
InChIKey
ZPWIVSGEQGESFF-UHFFFAOYSA-N
Compound name
2-chloro-N-cyclopropylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

415
Patents

133.02943 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.036706 122.9
[M+Na]+ 156.018648 132.2
[M-H]- 132.022154 127.5
[M+NH4]+ 151.063253 140.4
[M+K]+ 171.992588 129.1
[M+H-H2O]+ 116.026690 118.1
[M+HCOO]- 178.027631 143.4
[M+CH3COO]- 192.043281 176.1
[M+Na-2H]- 154.004096 129.7
[M]+ 133.02888142 125.9
[M]- 133.02997858 125.9
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