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

8
Annotation Hits: 5829
References: 173540
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	104.2
[M+Na]+	67.051818	116.4
[M+NH4]+	62.096423	114.2
[M+K]+	83.025758	110.2
[M-H]-	43.055324	105.1
[M+Na-2H]-	65.037266	110.4
[M]+	44.062051	106.1
[M]-	44.063149	106.1

Literature stripe

literature stripe

Patent stripe

patents stripe