CID 11240424

Cyclopropane, 2-propynyl-

Structural Information

Molecular Formula

C₆H₈

SMILES

CC#CC1CC1

InChI

InChI=1S/C6H8/c1-2-3-6-4-5-6/h6H,4-5H2,1H3

InChIKey

LIWWTIQFDBDUHK-UHFFFAOYSA-N

Compound name

prop-1-ynylcyclopropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 397
Patents: 80.0626 Da
Monoisotopic Mass: 2.0
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]+	81.069876	110.7
[M+Na]+	103.05182	126.4
[M-H]-	79.055324	116.4
[M+NH4]+	98.096423	129.8
[M+K]+	119.02576	121.4
[M+H-H2O]+	63.059860	102.4
[M+HCOO]-	125.06080	131.3
[M+CH3COO]-	139.07645	177.1
[M+Na-2H]-	101.03727	119.8
[M]+	80.062051	109.1
[M]-	80.063149	109.1

Literature stripe

literature stripe

Patent stripe

patents stripe