CID 43131861

2-chloro-n-(3-methoxypropyl)propanamide

Structural Information

Molecular Formula

C₇H₁₄ClNO₂

SMILES

CC(C(=O)NCCCOC)Cl

InChI

InChI=1S/C7H14ClNO2/c1-6(8)7(10)9-4-3-5-11-2/h6H,3-5H2,1-2H3,(H,9,10)

InChIKey

ATUJPTMHHGAKRU-UHFFFAOYSA-N

Compound name

2-chloro-N-(3-methoxypropyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 179.0713 Da
Monoisotopic Mass: 0.8
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]+	180.078576	138.7
[M+Na]+	202.060518	145.3
[M-H]-	178.064024	138.8
[M+NH4]+	197.105123	159.4
[M+K]+	218.034458	143.8
[M+H-H2O]+	162.068560	134.6
[M+HCOO]-	224.069501	157.5
[M+CH3COO]-	238.085151	182.9
[M+Na-2H]-	200.045966	142.5
[M]+	179.07075142	142.2
[M]-	179.07184858	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe