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: 14
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	127.2
[M+Na]+	170.03431	136.1
[M-H]-	146.03781	131.6
[M+NH4]+	165.07891	144.2
[M+K]+	186.00825	132.7
[M+H-H2O]+	130.04235	122.2
[M+HCOO]-	192.04329	147.4
[M+CH3COO]-	206.05894	179.0
[M+Na-2H]-	168.01976	133.4
[M]+	147.04454	130.6
[M]-	147.04564	130.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe