CID 213073

25457-78-7

Structural Information

Molecular Formula

SMILES

CC(C=C)(C#CBr)O

InChI

InChI=1S/C6H7BrO/c1-3-6(2,8)4-5-7/h3,8H,1H2,2H3

InChIKey

BVDFRFZHZDLMNP-UHFFFAOYSA-N

Compound name

5-bromo-3-methylpent-1-en-4-yn-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 173.96803 Da
Monoisotopic Mass: 1.7
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]+	174.97531	130.9
[M+Na]+	196.95725	133.1
[M+NH4]+	192.00185	132.3
[M+K]+	212.93119	131.0
[M-H]-	172.96075	122.1
[M+Na-2H]-	194.94270	130.0
[M]+	173.96748	126.9
[M]-	173.96858	126.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.