CID 6360

Isobutane

Structural Information

Molecular Formula

C₄H₁₀

SMILES

CC(C)C

InChI

InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3

InChIKey

NNPPMTNAJDCUHE-UHFFFAOYSA-N

Compound name

2-methylpropane

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 2664
References: 280833
Patents: 58.07825 Da
Monoisotopic Mass: 2.1
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	109.1
[M+Na]+	81.067468	116.9
[M-H]-	57.070974	110.0
[M+NH4]+	76.112073	134.4
[M+K]+	97.041408	118.0
[M+H-H2O]+	41.075510	105.6
[M+HCOO]-	103.07645	132.6
[M+CH3COO]-	117.09210	162.2
[M+Na-2H]-	79.052916	116.3
[M]+	58.077701	109.0
[M]-	58.078799	109.0

Literature stripe

literature stripe

Patent stripe

patents stripe