CID 252321

Cis-1,2-dimethylcyclopropane

Structural Information

Molecular Formula

C₅H₁₀

SMILES

C[C@@H]1C[C@@H]1C

InChI

InChI=1S/C5H10/c1-4-3-5(4)2/h4-5H,3H2,1-2H3/t4-,5+

InChIKey

VKJLDXGFBJBTRQ-SYDPRGILSA-N

Compound name

(1S,2R)-1,2-dimethylcyclopropane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 171
Patents: 70.07825 Da
Monoisotopic Mass: 2.1
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]+	71.085526	111.5
[M+Na]+	93.067468	125.1
[M+NH4]+	88.112073	122.0
[M+K]+	109.04141	120.5
[M-H]-	69.070974	120.4
[M+Na-2H]-	91.052916	120.6
[M]+	70.077701	117.1
[M]-	70.078799	117.1

Literature stripe

literature stripe

Patent stripe

patents stripe