CID 527571

1-bromo-4-methylcyclohex-1-ene

Structural Information

Molecular Formula

SMILES

CC1CCC(=CC1)Br

InChI

InChI=1S/C7H11Br/c1-6-2-4-7(8)5-3-6/h4,6H,2-3,5H2,1H3

InChIKey

LIUFYLLBQSSKQS-UHFFFAOYSA-N

Compound name

1-bromo-4-methylcyclohexene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 174.00441 Da
Monoisotopic Mass: 2.9
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]+	175.011686	130.0
[M+Na]+	196.993628	140.5
[M-H]-	172.997134	136.1
[M+NH4]+	192.038233	154.0
[M+K]+	212.967568	130.5
[M+H-H2O]+	157.001670	131.1
[M+HCOO]-	219.002611	149.9
[M+CH3COO]-	233.018261	178.2
[M+Na-2H]-	194.979076	137.6
[M]+	174.00386142	145.5
[M]-	174.00495858	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe