CID 64154

1-chloroadamantane

Structural Information

Molecular Formula

C₁₀H₁₅Cl

SMILES

C1C2CC3CC1CC(C2)(C3)Cl

InChI

InChI=1S/C10H15Cl/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2

InChIKey

OZNXTQSXSHODFR-UHFFFAOYSA-N

Compound name

1-chloroadamantane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 22
References: 1161
Patents: 170.08623 Da
Monoisotopic Mass: 3.4
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]+	171.093506	138.5
[M+Na]+	193.075448	142.8
[M-H]-	169.078954	134.5
[M+NH4]+	188.120053	166.7
[M+K]+	209.049388	138.3
[M+H-H2O]+	153.083490	133.9
[M+HCOO]-	215.084431	142.6
[M+CH3COO]-	229.100081	148.6
[M+Na-2H]-	191.060896	150.0
[M]+	170.08568142	139.0
[M]-	170.08677858	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe