CID 6334

Propane

Structural Information

Molecular Formula

C₃H₈

SMILES

CCC

InChI

InChI=1S/C3H8/c1-3-2/h3H2,1-2H3

InChIKey

ATUOYWHBWRKTHZ-UHFFFAOYSA-N

Compound name

propane

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 5832
References: 573623
Patents: 44.0626 Da
Monoisotopic Mass: 1.8
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]+	45.069876	104.1
[M+Na]+	67.051818	112.6
[M-H]-	43.055324	105.1
[M+NH4]+	62.096423	129.9
[M+K]+	83.025758	113.5
[M+H-H2O]+	27.059860	100.8
[M+HCOO]-	89.060801	128.9
[M+CH3COO]-	103.07645	158.4
[M+Na-2H]-	65.037266	113.2
[M]+	44.062051	104.3
[M]-	44.063149	104.3

Literature stripe

literature stripe

Patent stripe

patents stripe