CID 4991895

3-chloro-n-cyclopropylpropanamide

Structural Information

Molecular Formula

C₆H₁₀ClNO

SMILES

C1CC1NC(=O)CCCl

InChI

InChI=1S/C6H10ClNO/c7-4-3-6(9)8-5-1-2-5/h5H,1-4H2,(H,8,9)

InChIKey

PEEXBRLULOKKGS-UHFFFAOYSA-N

Compound name

3-chloro-N-cyclopropylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 147.04509 Da
Monoisotopic Mass: 0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	148.05237	126.4
[M+Na]+	170.03431	138.2
[M+NH4]+	165.07891	135.5
[M+K]+	186.00825	134.0
[M-H]-	146.03781	134.4
[M+Na-2H]-	168.01976	134.3
[M]+	147.04454	131.5
[M]-	147.04564	131.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe