CID 70613006

1544587-05-4

Structural Information

Molecular Formula

C₁₁H₁₉Br

SMILES

C1CCC2CC(CCC2C1)CBr

InChI

InChI=1S/C11H19Br/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h9-11H,1-8H2

InChIKey

ZBYQKIUHQHOHLQ-UHFFFAOYSA-N

Compound name

2-(bromomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 230.06702 Da
Monoisotopic Mass: 4.7
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]+	231.07430	150.1
[M+Na]+	253.05624	157.1
[M-H]-	229.05974	155.5
[M+NH4]+	248.10084	172.4
[M+K]+	269.03018	146.4
[M+H-H2O]+	213.06428	150.5
[M+HCOO]-	275.06522	164.4
[M+CH3COO]-	289.08087	188.0
[M+Na-2H]-	251.04169	155.2
[M]+	230.06647	161.5
[M]-	230.06757	161.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe