CID 13171457

N-(tert-butyl)-2-chloropropanamide

Structural Information

Molecular Formula

C₇H₁₄ClNO

SMILES

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

InChI

InChI=1S/C7H14ClNO/c1-5(8)6(10)9-7(2,3)4/h5H,1-4H3,(H,9,10)

InChIKey

CLONYWVXLVFSMM-UHFFFAOYSA-N

Compound name

N-tert-butyl-2-chloropropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 163.07639 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]+	164.083666	135.3
[M+Na]+	186.065608	142.6
[M-H]-	162.069114	136.0
[M+NH4]+	181.110213	157.0
[M+K]+	202.039548	141.0
[M+H-H2O]+	146.073650	132.2
[M+HCOO]-	208.074591	152.4
[M+CH3COO]-	222.090241	180.5
[M+Na-2H]-	184.051056	139.9
[M]+	163.07584142	136.9
[M]-	163.07693858	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe