CID 22345569

N-(chloromethyl)-n-methylisobutyramide

Structural Information

Molecular Formula

C₆H₁₂ClNO

SMILES

CC(C)C(=O)N(C)CCl

InChI

InChI=1S/C6H12ClNO/c1-5(2)6(9)8(3)4-7/h5H,4H2,1-3H3

InChIKey

JUTFCUYCYHKEHX-UHFFFAOYSA-N

Compound name

N-(chloromethyl)-N,2-dimethylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 149.06075 Da
Monoisotopic Mass: 1.5
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]+	150.068026	130.6
[M+Na]+	172.049968	137.9
[M-H]-	148.053474	132.5
[M+NH4]+	167.094573	153.2
[M+K]+	188.023908	137.5
[M+H-H2O]+	132.058010	126.8
[M+HCOO]-	194.058951	149.9
[M+CH3COO]-	208.074601	181.5
[M+Na-2H]-	170.035416	134.3
[M]+	149.06020142	133.6
[M]-	149.06129858	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe