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

3
Patents

161.06075 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.06803 132.0
[M+Na]+ 184.04997 140.7
[M-H]- 160.05347 137.7
[M+NH4]+ 179.09457 149.2
[M+K]+ 200.02391 138.4
[M+H-H2O]+ 144.05801 126.7
[M+HCOO]- 206.05895 152.5
[M+CH3COO]- 220.07460 185.3
[M+Na-2H]- 182.03542 137.0
[M]+ 161.06020 137.0
[M]- 161.06130 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