CID 4295242

915725-52-9

Structural Information

Molecular Formula

C₆H₁₂ClNO

SMILES

CC(C)(C)NCC(=O)Cl

InChI

InChI=1S/C6H12ClNO/c1-6(2,3)8-4-5(7)9/h8H,4H2,1-3H3

InChIKey

QXZRISPOKANKQZ-UHFFFAOYSA-N

Compound name

2-(tert-butylamino)acetyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 91
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	130.7
[M+Na]+	172.04997	140.7
[M+NH4]+	167.09457	138.7
[M+K]+	188.02391	135.8
[M-H]-	148.05347	130.0
[M+Na-2H]-	170.03542	134.6
[M]+	149.06020	132.0
[M]-	149.06130	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe