CID 88541710

N-cyclobutyl-n-methylcarbamoyl chloride

Structural Information

Molecular Formula

C₆H₁₀ClNO

SMILES

CN(C1CCC1)C(=O)Cl

InChI

InChI=1S/C6H10ClNO/c1-8(6(7)9)5-3-2-4-5/h5H,2-4H2,1H3

InChIKey

XEGKZCVQLPQMTK-UHFFFAOYSA-N

Compound name

N-cyclobutyl-N-methylcarbamoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 147.04509 Da
Monoisotopic Mass: 1.7
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]+	148.05237	126.4
[M+Na]+	170.03431	132.2
[M-H]-	146.03781	131.1
[M+NH4]+	165.07891	142.4
[M+K]+	186.00825	134.4
[M+H-H2O]+	130.04235	116.9
[M+HCOO]-	192.04329	145.1
[M+CH3COO]-	206.05894	182.0
[M+Na-2H]-	168.01976	131.2
[M]+	147.04454	135.7
[M]-	147.04564	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe