CID 98560

1-bromo-2-methyl-1-propene

Structural Information

Molecular Formula

SMILES

CC(=CBr)C

InChI

InChI=1S/C4H7Br/c1-4(2)3-5/h3H,1-2H3

InChIKey

DEFNUDNHTUZJAL-UHFFFAOYSA-N

Compound name

1-bromo-2-methylprop-1-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1150
Patents: 133.97311 Da
Monoisotopic Mass: 2.4
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]+	134.980386	119.4
[M+Na]+	156.962328	131.2
[M-H]-	132.965834	123.0
[M+NH4]+	152.006933	144.9
[M+K]+	172.936268	121.6
[M+H-H2O]+	116.970370	121.1
[M+HCOO]-	178.971311	140.6
[M+CH3COO]-	192.986961	171.9
[M+Na-2H]-	154.947776	127.6
[M]+	133.97256142	136.9
[M]-	133.97365858	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe