CID 126970862

(2-bromo-2-methylcyclopropyl)methanol

Structural Information

Molecular Formula

SMILES

CC1(CC1CO)Br

InChI

InChI=1S/C5H9BrO/c1-5(6)2-4(5)3-7/h4,7H,2-3H2,1H3

InChIKey

DLEUEWUKWDRKGD-UHFFFAOYSA-N

Compound name

(2-bromo-2-methylcyclopropyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 163.98367 Da
Monoisotopic Mass: 0.9
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]+	164.99095	121.0
[M+Na]+	186.97289	125.0
[M+NH4]+	182.01749	128.1
[M+K]+	202.94683	125.5
[M-H]-	162.97639	126.8
[M+Na-2H]-	184.95834	127.5
[M]+	163.98312	123.2
[M]-	163.98422	123.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.