CID 26620

Einecs 224-780-9

Structural Information

Molecular Formula

C₁₀H₁₅ClO

SMILES

CC(=CC1C(C1(C)C)C(=O)Cl)C

InChI

InChI=1S/C10H15ClO/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3

InChIKey

VNTCVNLNEOVBEE-UHFFFAOYSA-N

Compound name

2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 253
Patents: 186.08115 Da
Monoisotopic Mass: 4.4
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]+	187.08843	135.5
[M+Na]+	209.07037	146.1
[M-H]-	185.07387	140.6
[M+NH4]+	204.11497	153.8
[M+K]+	225.04431	142.6
[M+H-H2O]+	169.07841	132.5
[M+HCOO]-	231.07935	152.4
[M+CH3COO]-	245.09500	187.7
[M+Na-2H]-	207.05582	138.5
[M]+	186.08060	141.0
[M]-	186.08170	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe