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

7
Annotation Hits: 826
References: 46128
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	103.1
[M+Na]+	63.020518	115.2
[M+NH4]+	58.065123	109.2
[M+K]+	78.994458	106.5
[M-H]-	39.024024	96.1
[M+Na-2H]-	61.005966	106.7
[M]+	40.030751	102.0
[M]-	40.031849	102.0

Literature stripe

literature stripe

Patent stripe

patents stripe