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: 17
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]+	150.06803	130.1
[M+Na]+	172.04997	140.3
[M+NH4]+	167.09457	138.4
[M+K]+	188.02391	135.5
[M-H]-	148.05347	130.1
[M+Na-2H]-	170.03542	134.0
[M]+	149.06020	131.6
[M]-	149.06130	131.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe