CID 3015862

36756-72-6

Structural Information

Molecular Formula

C₉H₁₈ClNO

SMILES

CCC(C)N(C(C)CC)C(=O)Cl

InChI

InChI=1S/C9H18ClNO/c1-5-7(3)11(9(10)12)8(4)6-2/h7-8H,5-6H2,1-4H3

InChIKey

QVMFDLLOVZUZLH-UHFFFAOYSA-N

Compound name

N,N-di(butan-2-yl)carbamoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 372
Patents: 191.1077 Da
Monoisotopic Mass: 3.4
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]+	192.11498	143.7
[M+Na]+	214.09692	152.9
[M+NH4]+	209.14152	151.4
[M+K]+	230.07086	148.2
[M-H]-	190.10042	143.4
[M+Na-2H]-	212.08237	146.4
[M]+	191.10715	144.9
[M]-	191.10825	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe