CID 6335

Propyne

Structural Information

Molecular Formula

C₃H₄

SMILES

CC#C

InChI

InChI=1S/C3H4/c1-3-2/h1H,2H3

InChIKey

MWWATHDPGQKSAR-UHFFFAOYSA-N

Compound name

prop-1-yne

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 826
References: 66733
Patents: 40.0313 Da
Monoisotopic Mass: 0.9
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]+	41.038576	101.1
[M+Na]+	63.020518	111.9
[M-H]-	39.024024	101.6
[M+NH4]+	58.065123	124.3
[M+K]+	78.994458	111.4
[M+H-H2O]+	23.028560	91.9
[M+HCOO]-	85.029501	120.4
[M+CH3COO]-	99.045151	168.0
[M+Na-2H]-	61.005966	109.6
[M]+	40.030751	95.8
[M]-	40.031849	95.8

Literature stripe

literature stripe

Patent stripe

patents stripe