CID 109081

61421-89-4

Structural Information

Molecular Formula

C₇H₁₃ClN₂O₂

SMILES

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

InChI

InChI=1S/C7H13ClN2O2/c1-3-7(8,4-2)5(11)10-6(9)12/h3-4H2,1-2H3,(H3,9,10,11,12)

InChIKey

ACIVXVCFXWJISJ-UHFFFAOYSA-N

Compound name

N-carbamoyl-2-chloro-2-ethylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 192.06656 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]+	193.073836	142.1
[M+Na]+	215.055778	148.6
[M-H]-	191.059284	142.0
[M+NH4]+	210.100383	161.7
[M+K]+	231.029718	146.5
[M+H-H2O]+	175.063820	138.3
[M+HCOO]-	237.064761	159.9
[M+CH3COO]-	251.080411	185.9
[M+Na-2H]-	213.041226	145.7
[M]+	192.06601142	142.5
[M]-	192.06710858	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe