CID 8255

Isobutylene

Structural Information

Molecular Formula

C₄H₈

SMILES

CC(=C)C

InChI

InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3

InChIKey

VQTUBCCKSQIDNK-UHFFFAOYSA-N

Compound name

2-methylprop-1-ene

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 279
References: 185580
Patents: 56.0626 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]+	57.069876	107.4
[M+Na]+	79.051818	115.6
[M-H]-	55.055324	108.3
[M+NH4]+	74.096423	132.7
[M+K]+	95.025758	116.0
[M+H-H2O]+	39.059860	104.0
[M+HCOO]-	101.06080	131.1
[M+CH3COO]-	115.07645	161.2
[M+Na-2H]-	77.037266	114.7
[M]+	56.062051	106.6
[M]-	56.063149	106.6

Literature stripe

literature stripe

Patent stripe

patents stripe