CID 7843

Butane

Structural Information

Molecular Formula

C₄H₁₀

SMILES

CCCC

InChI

InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3

InChIKey

IJDNQMDRQITEOD-UHFFFAOYSA-N

Compound name

butane

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 2390
References: 489445
Patents: 58.07825 Da
Monoisotopic Mass: 2.9
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]+	59.085526	108.8
[M+Na]+	81.067468	116.9
[M-H]-	57.070974	109.6
[M+NH4]+	76.112073	134.1
[M+K]+	97.041408	117.6
[M+H-H2O]+	41.075510	105.3
[M+HCOO]-	103.07645	133.3
[M+CH3COO]-	117.09210	161.4
[M+Na-2H]-	79.052916	117.3
[M]+	58.077701	109.4
[M]-	58.078799	109.4

Literature stripe

literature stripe

Patent stripe

patents stripe