CID 1416304

1-(bromomethyl)adamantane

Structural Information

Molecular Formula

C₁₁H₁₇Br

SMILES

C1C2CC3CC1CC(C2)(C3)CBr

InChI

InChI=1S/C11H17Br/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-7H2

InChIKey

RLRBYCAVZBQANU-UHFFFAOYSA-N

Compound name

1-(bromomethyl)adamantane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 163
Patents: 228.05136 Da
Monoisotopic Mass: 3.9
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]+	229.05864	150.2
[M+Na]+	251.04058	156.0
[M-H]-	227.04408	148.8
[M+NH4]+	246.08518	178.1
[M+K]+	267.01452	145.8
[M+H-H2O]+	211.04862	150.5
[M+HCOO]-	273.04956	156.5
[M+CH3COO]-	287.06521	161.1
[M+Na-2H]-	249.02603	161.7
[M]+	228.05081	166.8
[M]-	228.05191	166.8

Literature stripe

literature stripe

Patent stripe

patents stripe