CID 165690265

1-(bromomethyl)-4-cyclopropyl-2-methylbenzene

Structural Information

Molecular Formula

C₁₁H₁₃Br

SMILES

CC1=C(C=CC(=C1)C2CC2)CBr

InChI

InChI=1S/C11H13Br/c1-8-6-10(9-2-3-9)4-5-11(8)7-12/h4-6,9H,2-3,7H2,1H3

InChIKey

UGRHDSMKHXACLI-UHFFFAOYSA-N

Compound name

1-(bromomethyl)-4-cyclopropyl-2-methylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 224.02007 Da
Monoisotopic Mass: 3.8
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]+	225.027346	141.1
[M+Na]+	247.009288	154.6
[M-H]-	223.012794	151.4
[M+NH4]+	242.053893	159.0
[M+K]+	262.983228	143.2
[M+H-H2O]+	207.017330	140.8
[M+HCOO]-	269.018271	163.2
[M+CH3COO]-	283.033921	191.4
[M+Na-2H]-	244.994736	148.5
[M]+	224.01952142	161.2
[M]-	224.02061858	161.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.