CID 137747

1,2,3-butatriene

Structural Information

Molecular Formula

C₄H₄

SMILES

C=C=C=C

InChI

InChI=1S/C4H4/c1-3-4-2/h1-2H2

InChIKey

WHVXVDDUYCELKP-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 22
References: 346
Patents: 52.0313 Da
Monoisotopic Mass: 0.4
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]+	53.038576	107.2
[M+Na]+	75.020518	119.4
[M+NH4]+	70.065123	116.2
[M+K]+	90.994458	112.6
[M-H]-	51.024024	107.4
[M+Na-2H]-	73.005966	112.7
[M]+	52.030751	108.8
[M]-	52.031849	108.8

Literature stripe

literature stripe

Patent stripe

patents stripe