CID 4961779

2-chloro-n-(propan-2-yl)propanamide

Structural Information

Molecular Formula

C₆H₁₂ClNO

SMILES

CC(C)NC(=O)C(C)Cl

InChI

InChI=1S/C6H12ClNO/c1-4(2)8-6(9)5(3)7/h4-5H,1-3H3,(H,8,9)

InChIKey

NVIZBBOTWUFFLR-UHFFFAOYSA-N

Compound name

2-chloro-N-propan-2-ylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 149.06075 Da
Monoisotopic Mass: 1.4
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	131.4
[M+Na]+	172.04997	138.2
[M-H]-	148.05347	131.8
[M+NH4]+	167.09457	153.3
[M+K]+	188.02391	136.9
[M+H-H2O]+	132.05801	127.8
[M+HCOO]-	194.05895	149.2
[M+CH3COO]-	208.07460	178.8
[M+Na-2H]-	170.03542	134.4
[M]+	149.06020	132.4
[M]-	149.06130	132.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe