CID 11041290

30250-57-8

Structural Information

Molecular Formula

C₈H₁₅ClO₂

SMILES

CC(C)C(C(C)C)OC(=O)Cl

InChI

InChI=1S/C8H15ClO2/c1-5(2)7(6(3)4)11-8(9)10/h5-7H,1-4H3

InChIKey

WDBJMZSPVACLDL-UHFFFAOYSA-N

Compound name

2,4-dimethylpentan-3-yl carbonochloridate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 178.07605 Da
Monoisotopic Mass: 3.9
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]+	179.08333	137.3
[M+Na]+	201.06527	144.1
[M-H]-	177.06877	137.7
[M+NH4]+	196.10987	158.4
[M+K]+	217.03921	143.3
[M+H-H2O]+	161.07331	134.0
[M+HCOO]-	223.07425	152.9
[M+CH3COO]-	237.08990	183.0
[M+Na-2H]-	199.05072	138.2
[M]+	178.07550	140.9
[M]-	178.07660	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe