CID 48817

66969-02-6

Structural Information

Molecular Formula

C₁₃H₂₂BrN

SMILES

CN(C)CC12CC3CC(C1)CC(C3)C2Br

InChI

InChI=1S/C13H22BrN/c1-15(2)8-13-6-9-3-10(7-13)5-11(4-9)12(13)14/h9-12H,3-8H2,1-2H3

InChIKey

GUPCNVLMQHJYRT-UHFFFAOYSA-N

Compound name

1-(2-bromo-1-adamantyl)-N,N-dimethylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 271.09357 Da
Monoisotopic Mass: 3.3
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]+	272.10085	161.8
[M+Na]+	294.08279	166.6
[M-H]-	270.08629	161.1
[M+NH4]+	289.12739	188.4
[M+K]+	310.05673	157.0
[M+H-H2O]+	254.09083	161.3
[M+HCOO]-	316.09177	168.4
[M+CH3COO]-	330.10742	172.0
[M+Na-2H]-	292.06824	171.3
[M]+	271.09302	179.5
[M]-	271.09412	179.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe