CID 64374

3-bromoadamantane-1-carboxamide

Structural Information

Molecular Formula

C₁₁H₁₆BrNO

SMILES

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)N

InChI

InChI=1S/C11H16BrNO/c12-11-4-7-1-8(5-11)3-10(2-7,6-11)9(13)14/h7-8H,1-6H2,(H2,13,14)

InChIKey

SUSXMUKHFSYNND-UHFFFAOYSA-N

Compound name

3-bromoadamantane-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 257.04153 Da
Monoisotopic Mass: 1.7
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]+	258.04881	155.1
[M+Na]+	280.03075	161.1
[M-H]-	256.03425	153.1
[M+NH4]+	275.07535	182.9
[M+K]+	296.00469	150.7
[M+H-H2O]+	240.03879	155.2
[M+HCOO]-	302.03973	160.8
[M+CH3COO]-	316.05538	165.4
[M+Na-2H]-	278.01620	166.2
[M]+	257.04098	171.0
[M]-	257.04208	171.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe