CID 3015862

Di-sec-butylcarbamoyl chloride

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: 392
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	144.6
[M+Na]+	214.09692	150.5
[M-H]-	190.10042	146.1
[M+NH4]+	209.14152	165.5
[M+K]+	230.07086	149.8
[M+H-H2O]+	174.10496	140.4
[M+HCOO]-	236.10590	162.0
[M+CH3COO]-	250.12155	191.4
[M+Na-2H]-	212.08237	145.4
[M]+	191.10715	148.2
[M]-	191.10825	148.2

Literature stripe

literature stripe

Patent stripe

patents stripe