CID 16226952

2-chloro-n-(1-cyclopropylethyl)acetamide

Structural Information

Molecular Formula
C7H12ClNO
SMILES
CC(C1CC1)NC(=O)CCl
InChI
InChI=1S/C7H12ClNO/c1-5(6-2-3-6)9-7(10)4-8/h5-6H,2-4H2,1H3,(H,9,10)
InChIKey
PLCFXQXPDIHQAU-UHFFFAOYSA-N
Compound name
2-chloro-N-(1-cyclopropylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 130.9
[M+Na]+ 184.04997 139.2
[M-H]- 160.05347 135.3
[M+NH4]+ 179.09457 147.4
[M+K]+ 200.02391 136.0
[M+H-H2O]+ 144.05801 126.0
[M+HCOO]- 206.05895 150.0
[M+CH3COO]- 220.07460 182.7
[M+Na-2H]- 182.03542 135.6
[M]+ 161.06020 134.1
[M]- 161.06130 134.1
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

No patent data available for this compound.