CID 8252

Propylene

Structural Information

Molecular Formula

C₃H₆

SMILES

CC=C

InChI

InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3

InChIKey

QQONPFPTGQHPMA-UHFFFAOYSA-N

Compound name

prop-1-ene

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 8223
References: 216342
Patents: 42.04695 Da
Monoisotopic Mass: 1.4
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]+	43.054226	102.4
[M+Na]+	65.036168	111.2
[M-H]-	41.039674	103.5
[M+NH4]+	60.080773	128.3
[M+K]+	81.010108	111.6
[M+H-H2O]+	25.044210	99.3
[M+HCOO]-	87.045151	127.5
[M+CH3COO]-	101.06080	157.3
[M+Na-2H]-	63.021616	111.6
[M]+	42.046401	102.0
[M]-	42.047499	102.0

Literature stripe

literature stripe

Patent stripe

patents stripe