CID 80013

(chloromethyl)cyclopropane

Structural Information

Molecular Formula

SMILES

C1CC1CCl

InChI

InChI=1S/C4H7Cl/c5-3-4-1-2-4/h4H,1-3H2

InChIKey

ZVTQWXCKQTUVPY-UHFFFAOYSA-N

Compound name

chloromethylcyclopropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 2177
Patents: 90.02363 Da
Monoisotopic Mass: 1.6
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]+	91.030906	112.4
[M+Na]+	113.012848	122.8
[M-H]-	89.016354	117.1
[M+NH4]+	108.057453	132.0
[M+K]+	128.986788	120.4
[M+H-H2O]+	73.020890	108.0
[M+HCOO]-	135.021831	132.7
[M+CH3COO]-	149.037481	167.8
[M+Na-2H]-	110.998296	120.8
[M]+	90.02308142	115.5
[M]-	90.02417858	115.5

Literature stripe

literature stripe

Patent stripe

patents stripe