CID 14047139

80204-23-5

Structural Information

Molecular Formula

SMILES

CC1CCC1Br

InChI

InChI=1S/C5H9Br/c1-4-2-3-5(4)6/h4-5H,2-3H2,1H3

InChIKey

IXHHSYDNHZYFGE-UHFFFAOYSA-N

Compound name

1-bromo-2-methylcyclobutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 147.98875 Da
Monoisotopic Mass: 2.3
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]+	148.996026	114.1
[M+Na]+	170.977968	124.8
[M-H]-	146.981474	120.8
[M+NH4]+	166.022573	133.3
[M+K]+	186.951908	118.4
[M+H-H2O]+	130.986010	111.3
[M+HCOO]-	192.986951	134.6
[M+CH3COO]-	207.002601	178.1
[M+Na-2H]-	168.963416	122.9
[M]+	147.98820142	138.8
[M]-	147.98929858	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe