CID 39869829

2-chloro-n-cyclopropyl-n-ethylacetamide

Structural Information

Molecular Formula
C7H12ClNO
SMILES
CCN(C1CC1)C(=O)CCl
InChI
InChI=1S/C7H12ClNO/c1-2-9(6-3-4-6)7(10)5-8/h6H,2-5H2,1H3
InChIKey
JLNXWMRRAHPQKS-UHFFFAOYSA-N
Compound name
2-chloro-N-cyclopropyl-N-ethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

161.06075 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.068026 132.0
[M+Na]+ 184.049968 140.7
[M-H]- 160.053474 137.7
[M+NH4]+ 179.094573 149.2
[M+K]+ 200.023908 138.4
[M+H-H2O]+ 144.058010 126.7
[M+HCOO]- 206.058951 152.5
[M+CH3COO]- 220.074601 185.3
[M+Na-2H]- 182.035416 137.0
[M]+ 161.06020142 137.0
[M]- 161.06129858 137.0
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